[3-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dimethoxyphenyl)pyrrolidino]methanone Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-31-23-13-12-19(18-24(23)32-2)22-11-8-16-27(22)25(28)20-9-7-10-21(17-20)33(29,30)26-14-5-3-4-6-15-26/h7,9-10,12-13,17-18,22H,3-6,8,11,14-16H2,1-2H3