N-[(2S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide Openeye Name: N-[(1S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]-methyl-carbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide CAS Name: N-[(2S)-1-[[1-(2-cyanophenyl)sulfonyl-4-azepanyl]-methylamino]-4-methyl-1-oxopentan-2-yl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[(2S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide Traditional Name: N-[(1S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]-methyl-carbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide Formula: C30H37N5O4S MolecularWeight: 563.71088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C1CCCN(CC1)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)C1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4N3C

InChI

InChI=1S/C30H37N5O4S/c1-21(2)18-25(32-29(36)27-19-22-10-5-7-13-26(22)34(27)4)30(37)33(3)24-12-9-16-35(17-15-24)40(38,39)28-14-8-6-11-23(28)20-31/h5-8,10-11,13-14,19,21,24-25H,9,12,15-18H2,1-4H3,(H,32,36)/t24?,25-/m0/s1