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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S/c1-18-9-4-5-12-21(18)23(28)24-14-13-22(27)25-19-10-8-11-20(17-19)31(29,30)26-15-6-2-3-7-16-26/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,24,28)(H,25,27)