N-(1,4-diazepan-1-yl)-N-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]benzenesulfonamide

Systemtic Name: N-(1,4-diazepan-1-yl)-N-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]benzenesulfonamide Openeye Name: N-(1,4-diazepan-1-yl)-N-(2-isochroman-1-ylethyl)benzenesulfonamide CAS Name: N-(1,4-diazepan-1-yl)-N-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]benzenesulfonamide IUPAC Name: N-(1,4-diazepan-1-yl)-N-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]benzenesulfonamide Traditional Name: N-(1,4-diazepan-1-yl)-N-(2-isochroman-1-ylethyl)benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)N(CCC2C3=CC=CC=C3CCO2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)N(CCC2C3=CC=CC=C3CCO2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c26-29(27,20-8-2-1-3-9-20)25(24-15-6-13-23-14-17-24)16-11-22-21-10-5-4-7-19(21)12-18-28-22/h1-5,7-10,22-23H,6,11-18H2