1-(2-hydroxyphenyl)-4-(3-methylphenoxy)-1-piperazin-1-yl-butane-1-sulfonamide dihydrochloride

Systemtic Name: 1-(2-hydroxyphenyl)-4-(3-methylphenoxy)-1-piperazin-1-yl-butane-1-sulfonamide dihydrochloride Openeye Name: 1-(2-hydroxyphenyl)-4-(3-methylphenoxy)-1-piperazin-1-yl-butane-1-sulfonamide dihydrochloride CAS Name: 1-(2-hydroxyphenyl)-4-(3-methylphenoxy)-1-(1-piperazinyl)-1-butanesulfonamide dihydrochloride IUPAC Name: 1-(2-hydroxyphenyl)-4-(3-methylphenoxy)-1-piperazin-1-ylbutane-1-sulfonamide dihydrochloride Traditional Name: 1-(2-hydroxyphenyl)-4-(3-methylphenoxy)-1-piperazino-butane-1-sulfonamide dihydrochloride Formula: C21H31Cl2N3O4S MolecularWeight: 492.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(C2=CC=CC=C2O)(N3CCNCC3)S(=O)(=O)N.Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(C2=CC=CC=C2O)(N3CCNCC3)S(=O)(=O)N.Cl.Cl

InChI

InChI=1S/C21H29N3O4S.2ClH/c1-17-6-4-7-18(16-17)28-15-5-10-21(29(22,26)27,24-13-11-23-12-14-24)19-8-2-3-9-20(19)25;;/h2-4,6-9,16,23,25H,5,10-15H2,1H3,(H2,22,26,27);2*1H