3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(dimethylamino)benzyl]-N-methyl-benzamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30ClN3O3S/c1-25(2)20-11-8-18(9-12-20)17-26(3)23(28)19-10-13-21(24)22(16-19)31(29,30)27-14-6-4-5-7-15-27/h8-13,16H,4-7,14-15,17H2,1-3H3