N-(1,3-benzothiazol-2-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H24N4O3S2/c1-15-7-8-19(16(2)13-15)30(27,28)25-11-9-24(10-12-25)21(26)22-14-20-23-17-5-3-4-6-18(17)29-20/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)