[3-(azepan-1-ylsulfonyl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[2-(3-methoxyphenyl)-1-pyrrolidinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3-methoxyphenyl)pyrrolidino]methanone Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H30N2O4S/c1-30-21-11-6-9-19(17-21)23-13-8-16-26(23)24(27)20-10-7-12-22(18-20)31(28,29)25-14-4-2-3-5-15-25/h6-7,9-12,17-18,23H,2-5,8,13-16H2,1H3