N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CCN(CC3)CC4=CC=C(C=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CCN(CC3)CC4=CC=C(C=C4)Cl)OC1

InChI

InChI=1S/C21H25ClN2O4S/c22-17-4-2-16(3-5-17)15-24-10-8-18(9-11-24)23-29(25,26)19-6-7-20-21(14-19)28-13-1-12-27-20/h2-7,14,18,23H,1,8-13,15H2