N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-methyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-methyl-benzenesulfonamide Openeye Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-methyl-benzenesulfonamide CAS Name: N-[3-[4-(4-chlorophenyl)-1-piperazinyl]propyl]-4-ethoxy-3-methylbenzenesulfonamide IUPAC Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-methylbenzenesulfonamide Traditional Name: N-[3-[4-(4-chlorophenyl)piperazino]propyl]-4-ethoxy-3-methyl-benzenesulfonamide Formula: C22H30ClN3O3S MolecularWeight: 452.0099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H30ClN3O3S/c1-3-29-22-10-9-21(17-18(22)2)30(27,28)24-11-4-12-25-13-15-26(16-14-25)20-7-5-19(23)6-8-20/h5-10,17,24H,3-4,11-16H2,1-2H3