N-[(2S)-1-[3-[(3-bromanyl-5-chloranyl-thiophen-2-yl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(3-bromanyl-5-chloranyl-thiophen-2-yl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(3-bromo-5-chloro-2-thienyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(3-bromo-5-chloro-2-thiophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(3-bromo-5-chlorothiophen-2-yl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(3-bromo-5-chloro-2-thienyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C23H27BrClN3O4S3 MolecularWeight: 621.03018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=C(C=C(S1)Cl)Br)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C)S(=O)(=O)C1=C(C=C(S1)Cl)Br)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C23H27BrClN3O4S3/c1-14(2)11-17(27-22(30)19-12-15-7-4-5-8-18(15)33-19)21(29)26-9-6-10-28(3)35(31,32)23-16(24)13-20(25)34-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3,(H,26,29)(H,27,30)/t17-/m0/s1