1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-phenyl]sulfonyl-5-methoxy-indole dihydrochloride

Systemtic Name: 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-phenyl]sulfonyl-5-methoxy-indole dihydrochloride Openeye Name: 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-phenyl]sulfonyl-5-methoxy-indole dihydrochloride CAS Name: 1-[3-[(4-ethyl-1-piperazinyl)methyl]-4-methylphenyl]sulfonyl-5-methoxyindole dihydrochloride IUPAC Name: 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methylphenyl]sulfonyl-5-methoxyindole dihydrochloride Traditional Name: 1-[3-[(4-ethylpiperazino)methyl]-4-methyl-phenyl]sulfonyl-5-methoxy-indole dihydrochloride Formula: C23H31Cl2N3O3S MolecularWeight: 500.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)OC)C.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)OC)C.Cl.Cl

InChI

InChI=1S/C23H29N3O3S.2ClH/c1-4-24-11-13-25(14-12-24)17-20-16-22(7-5-18(20)2)30(27,28)26-10-9-19-15-21(29-3)6-8-23(19)26;;/h5-10,15-16H,4,11-14,17H2,1-3H3;2*1H