N-(3-methoxyphenyl)-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide Openeye Name: N-(3-methoxyphenyl)-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide Traditional Name: 4-(6-mesyl-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H22N4O4S2/c1-28-15-5-3-4-14(12-15)21-19(25)23-8-10-24(11-9-23)20-22-17-7-6-16(30(2,26)27)13-18(17)29-20/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)