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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

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