3-(azepan-1-ylsulfonyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-(azepan-1-ylsulfonyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-(azepan-1-ylsulfonyl)benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N4O4S/c1-2-14-24-23(29)26-20-12-10-19(11-13-20)25-22(28)18-8-7-9-21(17-18)32(30,31)27-15-5-3-4-6-16-27/h2,7-13,17H,1,3-6,14-16H2,(H,25,28)(H2,24,26,29)