N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CCN(C3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CCN(C3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C20H24N2O4S/c23-27(24,18-7-8-19-20(13-18)26-12-4-11-25-19)21-17-9-10-22(15-17)14-16-5-2-1-3-6-16/h1-3,5-8,13,17,21H,4,9-12,14-15H2