1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-N-(2-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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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)NCC4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H28N4O4S/c28-22-15-18(23(29)25-16-19-7-3-4-12-24-19)17-27(22)20-8-10-21(11-9-20)32(30,31)26-13-5-1-2-6-14-26/h3-4,7-12,18H,1-2,5-6,13-17H2,(H,25,29)