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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N4O5S/c1-3-14-25-24(30)27-20-11-9-19(10-12-20)26-23(29)18-8-13-21(33-2)22(17-18)34(31,32)28-15-6-4-5-7-16-28/h3,8-13,17H,1,4-7,14-16H2,2H3,(H,26,29)(H2,25,27,30)