(4-methoxyphenyl)-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)methanone

Systemtic Name: (4-methoxyphenyl)-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)methanone Openeye Name: (4-methoxyphenyl)-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidin-2-yl]methanone CAS Name: [4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-(4-methoxyphenyl)methanone IUPAC Name: (4-methoxyphenyl)-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidin-2-yl)methanone Traditional Name: [4-mercapto-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]-(4-methoxyphenyl)methanone Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H21NO4S2/c1-27-18-9-6-16(7-10-18)22(24)21-13-19(28)14-23(21)29(25,26)20-11-8-15-4-2-3-5-17(15)12-20/h2-12,19,21,28H,13-14H2,1H3