N-cyclopropyl-3-[2-[(3,4-dimethylphenyl)sulfonyl-(3-methylbutyl)amino]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-[(3,4-dimethylphenyl)sulfonyl-(3-methylbutyl)amino]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[(3,4-dimethylphenyl)sulfonyl-isopentyl-amino]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[(3,4-dimethylphenyl)sulfonyl-(3-methylbutyl)amino]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[(3,4-dimethylphenyl)sulfonyl-(3-methylbutyl)amino]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(3,4-dimethylphenyl)sulfonyl-isoamyl-amino]acetyl]amino]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CCC(C)C)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CCC(C)C)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3)C

InChI

InChI=1S/C25H33N3O4S/c1-17(2)12-13-28(33(31,32)23-11-8-18(3)19(4)14-23)16-24(29)26-22-7-5-6-20(15-22)25(30)27-21-9-10-21/h5-8,11,14-15,17,21H,9-10,12-13,16H2,1-4H3,(H,26,29)(H,27,30)