N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-4-tosyl-1,4-diazepane-1-carboxamide Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C24H30N4O4S/c1-18-6-10-22(11-7-18)33(31,32)28-13-3-12-27(14-15-28)24(30)25-17-19-4-2-5-21(16-19)26-23(29)20-8-9-20/h2,4-7,10-11,16,20H,3,8-9,12-15,17H2,1H3,(H,25,30)(H,26,29)