N-[3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-methyl-1-[4-(4-pyridylmethyl)piperazine-1-carbonyl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-methyl-1-[4-(4-pyridylmethyl)piperazine-1-carbonyl]propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C24H32N4O5S MolecularWeight: 488.59968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H32N4O5S/c1-18(2)23(24(29)28-12-10-27(11-13-28)17-19-6-8-25-9-7-19)26-34(30,31)20-4-5-21-22(16-20)33-15-3-14-32-21/h4-9,16,18,23,26H,3,10-15,17H2,1-2H3