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

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N2O6S2/c1-16-4-2-11-23(15-16)31(26,27)18-7-5-17(6-8-18)22-30(24,25)19-9-10-20-21(14-19)29-13-3-12-28-20/h5-10,14,16,22H,2-4,11-13,15H2,1H3