N-[3-(azepan-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-[3-(1-azepanyl)propyl]-4-methoxy-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCCCCC2)C(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCCCCC2)C(=O)N3CCCC3

InChI

InChI=1S/C21H33N3O4S/c1-28-20-10-9-18(17-19(20)21(25)24-15-6-7-16-24)29(26,27)22-11-8-14-23-12-4-2-3-5-13-23/h9-10,17,22H,2-8,11-16H2,1H3