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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propionamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H32N4O4S/c1-2-17-26-25(31)28-22-12-10-21(11-13-22)27-24(30)16-9-20-7-14-23(15-8-20)34(32,33)29-18-5-3-4-6-19-29/h2,7-8,10-15H,1,3-6,9,16-19H2,(H,27,30)(H2,26,28,31)