N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)isonipecotamide Formula: C27H40N4O5S MolecularWeight: 532.6953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H40N4O5S/c1-27(2,3)31-19-21(18-24(31)32)26(34)29-16-12-20(13-17-29)25(33)28-22-8-10-23(11-9-22)37(35,36)30-14-6-4-5-7-15-30/h8-11,20-21H,4-7,12-19H2,1-3H3,(H,28,33)