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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-N-cyclopropyl-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-keto-pyrrolidine-3-carboxamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)NC4CC4

InChI

InChI=1S/C20H27N3O4S/c24-19-13-15(20(25)21-16-5-6-16)14-23(19)17-7-9-18(10-8-17)28(26,27)22-11-3-1-2-4-12-22/h7-10,15-16H,1-6,11-14H2,(H,21,25)