7-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[(4-ethyl-1-piperazinyl)sulfonyl]-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-ethylpiperazino)sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(C(=O)N3)C

InChI

InChI=1S/C16H23N3O3S2/c1-3-18-6-8-19(9-7-18)24(21,22)13-4-5-15-14(10-13)17-16(20)12(2)11-23-15/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,17,20)