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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S2/c1-11-2-5-13(6-3-11)27(24,25)9-8-16(21)19-17-18-14-7-4-12(20(22)23)10-15(14)26-17/h2-7,10H,8-9H2,1H3,(H,18,19,21)