3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-phenyl-2-pyrrolidino-ethyl)benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2)N3CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2)N3CCCC3)S(=O)(=O)N4CCCCCC4

InChI

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