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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(prop-2-enylsulfamoyl)benzamide Openeye Name: 3-(allylsulfamoyl)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(prop-2-enylsulfamoyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(prop-2-enylsulfamoyl)benzamide Traditional Name: 3-(allylsulfamoyl)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]benzamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S2/c1-3-13-24-32(28,29)21-10-8-9-19(16-21)23(27)25-20-12-11-18(2)22(17-20)33(30,31)26-14-6-4-5-7-15-26/h3,8-12,16-17,24H,1,4-7,13-15H2,2H3,(H,25,27)