N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]-1H-indole-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]-1H-indole-2-carboxamide Formula: C26H31N5O5S MolecularWeight: 525.61984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C26H31N5O5S/c1-17(2)14-21(30-26(34)22-15-18-8-3-4-9-19(18)28-22)25(33)29-20-10-7-13-31(16-23(20)32)37(35,36)24-11-5-6-12-27-24/h3-6,8-9,11-12,15,17,20-21,28H,7,10,13-14,16H2,1-2H3,(H,29,33)(H,30,34)/t20?,21-/m0/s1