N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1-cyclopropylethyl)-N-p-anisyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1CC1)N(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27NO5S/c1-16(18-6-7-18)23(15-17-4-8-19(26-2)9-5-17)29(24,25)20-10-11-21-22(14-20)28-13-3-12-27-21/h4-5,8-11,14,16,18H,3,6-7,12-13,15H2,1-2H3