N-benzo[e][1,3]benzothiazol-2-yl-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(3-mesylphenyl)sulfonyl-isonipecotamide Formula: C24H23N3O5S3 MolecularWeight: 529.65152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C24H23N3O5S3/c1-34(29,30)18-6-4-7-19(15-18)35(31,32)27-13-11-17(12-14-27)23(28)26-24-25-22-20-8-3-2-5-16(20)9-10-21(22)33-24/h2-10,15,17H,11-14H2,1H3,(H,25,26,28)