N-[6-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-(p-tolylsulfonylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-(tosylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-14-7-10-17(11-8-14)29(26,27)24-16-9-12-18-19(13-16)28-21(22-18)23-20(25)15-5-3-2-4-6-15/h7-13,15,24H,2-6H2,1H3,(H,22,23,25)