N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[4-[(4-ethylpiperazino)methyl]phenyl]-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)SCC(C(=O)N4)C

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)SCC(C(=O)N4)C

InChI

InChI=1S/C23H30N4O3S2/c1-3-26-10-12-27(13-11-26)15-18-4-6-19(7-5-18)25-32(29,30)20-8-9-22-21(14-20)24-23(28)17(2)16-31-22/h4-9,14,17,25H,3,10-13,15-16H2,1-2H3,(H,24,28)