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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-3-(azepan-1-ylsulfonyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-3-(azepan-1-ylsulfonyl)-4-methyl-benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC=C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29N3O4S/c1-3-14-25-24(29)20-10-6-7-11-21(20)26-23(28)19-13-12-18(2)22(17-19)32(30,31)27-15-8-4-5-9-16-27/h3,6-7,10-13,17H,1,4-5,8-9,14-16H2,2H3,(H,25,29)(H,26,28)