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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[3-[methyl(phenyl)amino]propyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(N-methylanilino)propyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[3-(N-methylanilino)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(N-methylanilino)propyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(N-methylanilino)propyl]benzamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H30ClN3O3S/c1-26(19-10-5-4-6-11-19)15-9-14-25-23(28)21-18-20(12-13-22(21)24)31(29,30)27-16-7-2-3-8-17-27/h4-6,10-13,18H,2-3,7-9,14-17H2,1H3,(H,25,28)