2-[[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]-N-propan-2-yl-benzamide Openeye Name: 2-[[4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzoyl]amino]-N-isopropyl-benzamide CAS Name: 2-[[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-2-[[4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzoyl]amino]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC(C)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C27H31N3O4S/c1-18(2)28-27(32)24-8-6-7-9-25(24)29-26(31)22-13-11-21(12-14-22)17-30(35(5,33)34)23-15-10-19(3)20(4)16-23/h6-16,18H,17H2,1-5H3,(H,28,32)(H,29,31)