1-[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-1-methylsulfonyl-N-(phenylmethyl)methanamine

Systemtic Name: 1-[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-1-methylsulfonyl-N-(phenylmethyl)methanamine Openeye Name: N-benzyl-1-[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-1-methylsulfonyl-methanamine CAS Name: 1-[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-1-methylsulfonyl-N-(phenylmethyl)methanamine IUPAC Name: N-benzyl-1-[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-1-methylsulfonylmethanamine Traditional Name: benzyl-[mesyl-[4-(p-anisylthio)pyrrolidin-2-yl]methyl]amine Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(NC2)C(NCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(NC2)C(NCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-26-18-10-8-17(9-11-18)15-27-19-12-20(22-14-19)21(28(2,24)25)23-13-16-6-4-3-5-7-16/h3-11,19-23H,12-15H2,1-2H3