1-[3-[1,3-benzothiazol-2-yl(methyl)amino]pyrrolidin-1-yl]-3-phenoxy-propan-2-ol; 4-methylbenzenesulfonate

Systemtic Name: 1-[3-[1,3-benzothiazol-2-yl(methyl)amino]pyrrolidin-1-yl]-3-phenoxy-propan-2-ol; 4-methylbenzenesulfonate Openeye Name: 1-[3-[1,3-benzothiazol-2-yl(methyl)amino]pyrrolidin-1-yl]-3-phenoxy-propan-2-ol; 4-methylbenzenesulfonate CAS Name: 1-[3-[1,3-benzothiazol-2-yl(methyl)amino]-1-pyrrolidinyl]-3-phenoxy-2-propanol; 4-methylbenzenesulfonate IUPAC Name: 1-[3-[1,3-benzothiazol-2-yl(methyl)amino]pyrrolidin-1-yl]-3-phenoxypropan-2-ol; 4-methylbenzenesulfonate Traditional Name: 1-[3-[1,3-benzothiazol-2-yl(methyl)amino]pyrrolidino]-3-phenoxy-propan-2-ol ditosylate Formula: C35H39N3O8S3-2 MolecularWeight: 725.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C1CCN(C1)CC(COC2=CC=CC=C2)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C1CCN(C1)CC(COC2=CC=CC=C2)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O2S.2C7H8O3S/c1-23(21-22-19-9-5-6-10-20(19)27-21)16-11-12-24(13-16)14-17(25)15-26-18-7-3-2-4-8-18;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,16-17,25H,11-15H2,1H3;2*2-5H,1H3,(H,8,9,10)/p-2