3-(azepan-1-ylcarbonyl)-4-methoxy-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-(3-piperidin-1-ylpropyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[3-(1-piperidyl)propyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[3-(1-piperidinyl)propyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-piperidin-1-ylpropyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(3-piperidinopropyl)benzenesulfonamide Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCCCC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCCCC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H35N3O4S/c1-29-21-11-10-19(18-20(21)22(26)25-16-7-2-3-8-17-25)30(27,28)23-12-9-15-24-13-5-4-6-14-24/h10-11,18,23H,2-9,12-17H2,1H3