N-[[4-(aminocarbonylamino)phenyl]methyl]-3-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-3-(azepan-1-ylsulfonyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(4-ureidophenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[4-(carbamoylamino)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(carbamoylamino)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-ureidobenzyl)benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H26N4O4S/c22-21(27)24-18-10-8-16(9-11-18)15-23-20(26)17-6-5-7-19(14-17)30(28,29)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13,15H2,(H,23,26)(H3,22,24,27)