5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[4-(diethylamino)-2-methyl-phenyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[4-(diethylamino)-2-methyl-phenyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-(diethylamino)-2-methyl-phenyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[4-(diethylamino)-2-methylphenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-(diethylamino)-2-methylphenyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-(diethylamino)-2-methyl-phenyl]benzamide Formula: C24H32ClN3O3S MolecularWeight: 478.04718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C

InChI

InChI=1S/C24H32ClN3O3S/c1-4-27(5-2)19-10-13-23(18(3)16-19)26-24(29)21-17-20(11-12-22(21)25)32(30,31)28-14-8-6-7-9-15-28/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,26,29)