(3S,4S)-1-(4-methylphenyl)sulfonyl-N-phenylmethoxy-4-(phenylsulfanylmethyl)pyrrolidin-3-amine

Systemtic Name: (3S,4S)-1-(4-methylphenyl)sulfonyl-N-phenylmethoxy-4-(phenylsulfanylmethyl)pyrrolidin-3-amine Openeye Name: (3S,4S)-N-benzyloxy-4-(phenylsulfanylmethyl)-1-(p-tolylsulfonyl)pyrrolidin-3-amine CAS Name: (3S,4S)-1-(4-methylphenyl)sulfonyl-N-phenylmethoxy-4-[(phenylthio)methyl]-3-pyrrolidinamine IUPAC Name: (3S,4S)-1-(4-methylphenyl)sulfonyl-N-phenylmethoxy-4-(phenylsulfanylmethyl)pyrrolidin-3-amine Traditional Name: benzoxy-[(3S,4S)-4-[(phenylthio)methyl]-1-tosyl-pyrrolidin-3-yl]amine Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)NOCC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@@H](C2)NOCC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3S2/c1-20-12-14-24(15-13-20)32(28,29)27-16-22(19-31-23-10-6-3-7-11-23)25(17-27)26-30-18-21-8-4-2-5-9-21/h2-15,22,25-26H,16-19H2,1H3/t22-,25-/m1/s1