1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)azepan-2-one

Systemtic Name: 1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)azepan-2-one Openeye Name: 1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)azepan-2-one CAS Name: 1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-azepanone IUPAC Name: 1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)azepan-2-one Traditional Name: 1-(1-phenyl-2-pyrrolidino-ethyl)-3-(3-pyrrolidinosulfonylphenyl)azepan-2-one Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(CN4CCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(CN4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H37N3O3S/c32-28-26(24-13-10-14-25(21-24)35(33,34)30-18-8-9-19-30)15-4-5-20-31(28)27(22-29-16-6-7-17-29)23-11-2-1-3-12-23/h1-3,10-14,21,26-27H,4-9,15-20,22H2