4-[[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4)Cl

InChI

InChI=1S/C21H22ClN3O5S/c1-13-19(22)10-18(11-20(13)25(27)28)31(29,30)24(17-8-9-17)12-14-2-4-15(5-3-14)21(26)23-16-6-7-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H,23,26)