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

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-2-chloranyl-benzamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]-2-chloro-benzamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]-2-chlorobenzamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]-2-chlorobenzamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]-2-chloro-benzamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28ClN3O4S/c1-17-10-11-18(16-21(17)32(30,31)27-14-6-2-3-7-15-27)26-22(28)12-13-25-23(29)19-8-4-5-9-20(19)24/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,25,29)(H,26,28)