N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-1-(3,4-dimethylphenyl)sulfonyl-cyclopropane-1-carboxamide

Systemtic Name: N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-1-(3,4-dimethylphenyl)sulfonyl-cyclopropane-1-carboxamide Openeye Name: N-[(1R)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-1-(3,4-dimethylphenyl)sulfonyl-cyclopropanecarboxamide CAS Name: N-[(2R)-1-(1-benzotriazolyl)propan-2-yl]-1-(3,4-dimethylphenyl)sulfonyl-1-cyclopropanecarboxamide IUPAC Name: N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxamide Traditional Name: N-[(1R)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-1-(3,4-dimethylphenyl)sulfonyl-cyclopropanecarboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CC2)C(=O)NC(C)CN3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CC2)C(=O)N[C@H](C)CN3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C21H24N4O3S/c1-14-8-9-17(12-15(14)2)29(27,28)21(10-11-21)20(26)22-16(3)13-25-19-7-5-4-6-18(19)23-24-25/h4-9,12,16H,10-11,13H2,1-3H3,(H,22,26)/t16-/m1/s1