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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4S/c29-24-17-21(19-27(24)16-13-20-9-4-3-5-10-20)25(30)26-22-11-8-12-23(18-22)33(31,32)28-14-6-1-2-7-15-28/h3-5,8-12,18,21H,1-2,6-7,13-17,19H2,(H,26,30)