N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide Openeye Name: N-[(1S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide CAS Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-3-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide Traditional Name: N-[(1S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-3-keto-azepan-4-yl]carbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4N3C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H]1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4N3C

InChI

InChI=1S/C29H33N5O5S/c1-19(2)15-23(32-29(37)25-16-20-9-4-6-12-24(20)33(25)3)28(36)31-22-11-8-14-34(18-26(22)35)40(38,39)27-13-7-5-10-21(27)17-30/h4-7,9-10,12-13,16,19,22-23H,8,11,14-15,18H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+/m1/s1