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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxidanylidene-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-N-(3-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(3-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-N-(3-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=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H28N4O4S/c28-22-14-19(23(29)25-16-18-6-5-11-24-15-18)17-27(22)20-7-9-21(10-8-20)32(30,31)26-12-3-1-2-4-13-26/h5-11,15,19H,1-4,12-14,16-17H2,(H,25,29)