1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-methoxyphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-(4-methoxyphenyl)sulfonyl-propan-1-one Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O4S2/c1-28-16-6-8-17(9-7-16)30(26,27)15-10-20(25)23-11-13-24(14-12-23)21-22-18-4-2-3-5-19(18)29-21/h2-9H,10-15H2,1H3