N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C24H31N3O4S/c1-17-8-10-20(14-19(17)3)24(29)25-16-23(28)26-21-11-9-18(2)22(15-21)32(30,31)27-12-6-4-5-7-13-27/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,25,29)(H,26,28)