N-[1-(5-chloranyl-2,3-dimethoxy-phenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-yl-aniline

Systemtic Name: N-[1-(5-chloranyl-2,3-dimethoxy-phenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-yl-aniline Openeye Name: N-[1-(5-chloro-2,3-dimethoxy-phenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-yl-aniline CAS Name: N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-2-methylsulfonyl-5-(1-piperazinyl)aniline IUPAC Name: N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline Traditional Name: 1-(5-chloro-2,3-dimethoxy-phenyl)ethyl-(2-mesyl-5-piperazino-phenyl)amine Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1OC)OC)Cl)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC(=CC(=C1OC)OC)Cl)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C

InChI

InChI=1S/C21H28ClN3O4S/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27/h5-6,11-14,23-24H,7-10H2,1-4H3