3-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)-N-(2-pyridylmethyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-3-tosyl-propionamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c1-16-5-8-19(9-6-16)34(31,32)13-11-22(28)26(15-17-4-2-3-12-24-17)23-25-20-10-7-18(27(29)30)14-21(20)33-23/h2-10,12,14H,11,13,15H2,1H3