N-[(2S)-1-[[(3R)-1-(3-bromanyl-4-piperidin-4-yloxy-phenyl)sulfonylpyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(3R)-1-(3-bromanyl-4-piperidin-4-yloxy-phenyl)sulfonylpyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[[(3R)-1-[3-bromo-4-(4-piperidyloxy)phenyl]sulfonylpyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[[(3R)-1-[3-bromo-4-(4-piperidinyloxy)phenyl]sulfonyl-3-pyrrolidinyl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[[(3R)-1-(3-bromo-4-piperidin-4-yloxyphenyl)sulfonylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[(3R)-1-[3-bromo-4-(4-piperidyloxy)phenyl]sulfonylpyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C30H37BrN4O5S2 MolecularWeight: 677.67258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNCC3)Br)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNCC3)Br)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C30H37BrN4O5S2/c1-19(2)15-25(34-30(37)28-16-20-5-3-4-6-27(20)41-28)29(36)33-21-11-14-35(18-21)42(38,39)23-7-8-26(24(31)17-23)40-22-9-12-32-13-10-22/h3-8,16-17,19,21-22,25,32H,9-15,18H2,1-2H3,(H,33,36)(H,34,37)/t21-,25+/m1/s1