[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-piperidin-1-yl-methanone Openeye Name: [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]-(1-piperidyl)methanone CAS Name: [5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-methoxyphenyl]-(1-piperidinyl)methanone IUPAC Name: [5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-piperidin-1-ylmethanone Traditional Name: [5-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-2-methoxy-phenyl]-piperidino-methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCCC4)C

InChI

InChI=1S/C25H33N3O4S/c1-19-8-7-9-23(20(19)2)26-14-16-28(17-15-26)33(30,31)21-10-11-24(32-3)22(18-21)25(29)27-12-5-4-6-13-27/h7-11,18H,4-6,12-17H2,1-3H3