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

Systemtic Name: 4-[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H26N4O5S/c1-30-18-7-9-19(10-8-18)31(28,29)25-12-2-11-24(13-14-25)15-20(26)23-17-5-3-16(4-6-17)21(22)27/h3-10H,2,11-15H2,1H3,(H2,22,27)(H,23,26)