N-[[4-(aminocarbonylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[(4-ureidophenyl)methyl]piperidine-4-carboxamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-tosyl-N-(4-ureidobenzyl)isonipecotamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H26N4O4S/c1-15-2-8-19(9-3-15)30(28,29)25-12-10-17(11-13-25)20(26)23-14-16-4-6-18(7-5-16)24-21(22)27/h2-9,17H,10-14H2,1H3,(H,23,26)(H3,22,24,27)