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

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(4-methyl-1-piperidyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-(4-methyl-1-piperidinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(4-methylpiperidino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N2O4S/c1-16-9-11-23(12-10-16)18-5-3-17(4-6-18)22-28(24,25)19-7-8-20-21(15-19)27-14-2-13-26-20/h3-8,15-16,22H,2,9-14H2,1H3