3-(azepan-1-ylsulfonyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4CCCC4

InChI

InChI=1S/C26H35N3O4S/c1-33-25-14-5-4-13-23(25)24(28-15-8-9-16-28)20-27-26(30)21-11-10-12-22(19-21)34(31,32)29-17-6-2-3-7-18-29/h4-5,10-14,19,24H,2-3,6-9,15-18,20H2,1H3,(H,27,30)