7-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]sulfonyl]-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-[2-(4-chlorophenoxy)ethyl]piperazino]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H26ClN3O4S2 MolecularWeight: 496.04254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCOC4=CC=C(C=C4)Cl)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCOC4=CC=C(C=C4)Cl)NC1=O

InChI

InChI=1S/C22H26ClN3O4S2/c1-16-15-31-21-7-6-19(14-20(21)24-22(16)27)32(28,29)26-10-8-25(9-11-26)12-13-30-18-4-2-17(23)3-5-18/h2-7,14,16H,8-13,15H2,1H3,(H,24,27)