N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-keto-pyrrolidine-3-carboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S/c28-23-16-20(18-26(23)17-19-8-4-3-5-9-19)24(29)25-21-10-12-22(13-11-21)32(30,31)27-14-6-1-2-7-15-27/h3-5,8-13,20H,1-2,6-7,14-18H2,(H,25,29)