3-(azepan-1-ylcarbonyl)-4-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(4-pyrrolidinobenzyl)benzenesulfonamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-32-24-13-12-22(18-23(24)25(29)28-16-4-2-3-5-17-28)33(30,31)26-19-20-8-10-21(11-9-20)27-14-6-7-15-27/h8-13,18,26H,2-7,14-17,19H2,1H3