N-[[4-(aminocarbonylamino)phenyl]methyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[(4-ureidophenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[[4-(carbamoylamino)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide Traditional Name: 1-brosyl-N-(4-ureidobenzyl)nipecotamide Formula: C20H23BrN4O4S MolecularWeight: 495.39002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C20H23BrN4O4S/c21-16-5-9-18(10-6-16)30(28,29)25-11-1-2-15(13-25)19(26)23-12-14-3-7-17(8-4-14)24-20(22)27/h3-10,15H,1-2,11-13H2,(H,23,26)(H3,22,24,27)