N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propan-2-yl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propan-2-yl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-isopropyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propan-2-ylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propan-2-ylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-isopropyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C28H34N4O4S2 MolecularWeight: 554.72396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C(C)C)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C(C)C)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C28H34N4O4S2/c1-19(2)16-23(31-28(34)25-17-21-10-5-7-12-24(21)37-25)27(33)30-14-9-15-32(20(3)4)38(35,36)26-13-8-6-11-22(26)18-29/h5-8,10-13,17,19-20,23H,9,14-16H2,1-4H3,(H,30,33)(H,31,34)/t23-/m0/s1