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

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-benzamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-4-methyl-benzamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-4-methylbenzamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-4-methylbenzamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-4-methyl-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-17-7-10-19(11-8-17)23(28)24-16-22(27)25-20-12-9-18(2)21(15-20)31(29,30)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)(H,25,27)