5-(3-chloranyl-5-methoxy-phenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-yl-aniline

Systemtic Name: 5-(3-chloranyl-5-methoxy-phenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-yl-aniline Openeye Name: 5-(3-chloro-5-methoxy-phenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-yl-aniline CAS Name: 5-(3-chloro-5-methoxyphenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-(1-piperazinyl)aniline IUPAC Name: 5-(3-chloro-5-methoxyphenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-ylaniline Traditional Name: [5-(3-chloro-5-methoxy-phenyl)-2-ethyl-6-mesyl-3-piperazino-phenyl]-phenyl-amine Formula: C26H30ClN3O3S MolecularWeight: 500.0527

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1NC2=CC=CC=C2)S(=O)(=O)C)C3=CC(=CC(=C3)Cl)OC)N4CCNCC4

Isomeric SMILES

CCC1=C(C=C(C(=C1NC2=CC=CC=C2)S(=O)(=O)C)C3=CC(=CC(=C3)Cl)OC)N4CCNCC4

InChI

InChI=1S/C26H30ClN3O3S/c1-4-22-24(30-12-10-28-11-13-30)17-23(18-14-19(27)16-21(15-18)33-2)26(34(3,31)32)25(22)29-20-8-6-5-7-9-20/h5-9,14-17,28-29H,4,10-13H2,1-3H3