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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide Formula: C23H27ClN4O4S MolecularWeight: 491.00288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4S/c1-2-13-25-23(30)27-19-10-8-18(9-11-19)26-22(29)17-7-12-20(24)21(16-17)33(31,32)28-14-5-3-4-6-15-28/h2,7-12,16H,1,3-6,13-15H2,(H,26,29)(H2,25,27,30)