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

Systemtic Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]-5-methyl-benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]-5-methyl-benzothiophene-2-carboxamide Formula: C27H32N4O4S2 MolecularWeight: 540.69738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2)C(=O)NC(CC(C)C)C(=O)NCCCN(C)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2)C(=O)N[C@@H](CC(C)C)C(=O)NCCCN(C)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C27H32N4O4S2/c1-18(2)14-22(30-27(33)24-16-21-15-19(3)10-11-23(21)36-24)26(32)29-12-7-13-31(4)37(34,35)25-9-6-5-8-20(25)17-28/h5-6,8-11,15-16,18,22H,7,12-14H2,1-4H3,(H,29,32)(H,30,33)/t22-/m0/s1