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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4CCCC4

InChI

InChI=1S/C26H35N3O4S/c1-33-23-12-8-10-21(18-23)25(28-14-6-7-15-28)20-27-26(30)22-11-9-13-24(19-22)34(31,32)29-16-4-2-3-5-17-29/h8-13,18-19,25H,2-7,14-17,20H2,1H3,(H,27,30)