(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-1-propan-2-yl-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-isopropyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-isopropyl-5-keto-pyrrolidine-3-carboxamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)N1C[C@H](CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O4S/c1-15(2)23-14-16(13-19(23)24)20(25)21-17-7-9-18(10-8-17)28(26,27)22-11-5-3-4-6-12-22/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,21,25)/t16-/m0/s1