[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]methanamine

Systemtic Name: [4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]methanamine Openeye Name: [4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]methanamine CAS Name: [4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]methanamine IUPAC Name: [4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanamine Traditional Name: [1-(2-naphthylsulfonyl)-4-(p-anisylthio)pyrrolidin-2-yl]methylamine Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CN

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CN

InChI

InChI=1S/C23H26N2O3S2/c1-28-21-9-6-17(7-10-21)16-29-22-13-20(14-24)25(15-22)30(26,27)23-11-8-18-4-2-3-5-19(18)12-23/h2-12,20,22H,13-16,24H2,1H3