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

Systemtic Name: 7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(3-methoxyphenyl)piperazino]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-15-14-29-20-7-6-18(13-19(20)22-21(15)25)30(26,27)24-10-8-23(9-11-24)16-4-3-5-17(12-16)28-2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,22,25)