2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-(4-tosyl-1,4-diazepan-1-yl)acetyl]amino]benzamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

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