(3S,4S)-4-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-(phenylsulfonyl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-4-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-(phenylsulfonyl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-(benzenesulfonyl)-4-[benzothiophen-2-ylmethyl(methyl)amino]pyrrolidin-3-ol CAS Name: (3S,4S)-1-(benzenesulfonyl)-4-[1-benzothiophen-2-ylmethyl(methyl)amino]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-(benzenesulfonyl)-4-[1-benzothiophen-2-ylmethyl(methyl)amino]pyrrolidin-3-ol Traditional Name: (3S,4S)-4-[benzothiophen-2-ylmethyl(methyl)amino]-1-besyl-pyrrolidin-3-ol Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2O3S2/c1-21(12-16-11-15-7-5-6-10-20(15)26-16)18-13-22(14-19(18)23)27(24,25)17-8-3-2-4-9-17/h2-11,18-19,23H,12-14H2,1H3/t18-,19-/m0/s1