[3-(2-methoxyethyl)-4-[[(2R,3R)-3-sulfanylpyrrolidin-2-yl]methyl]naphthalen-1-yl]-piperazin-1-yl-methanone

Systemtic Name: [3-(2-methoxyethyl)-4-[[(2R,3R)-3-sulfanylpyrrolidin-2-yl]methyl]naphthalen-1-yl]-piperazin-1-yl-methanone Openeye Name: [3-(2-methoxyethyl)-4-[[(2R,3R)-3-sulfanylpyrrolidin-2-yl]methyl]-1-naphthyl]-piperazin-1-yl-methanone CAS Name: [4-[[(2R,3R)-3-mercapto-2-pyrrolidinyl]methyl]-3-(2-methoxyethyl)-1-naphthalenyl]-(1-piperazinyl)methanone IUPAC Name: [3-(2-methoxyethyl)-4-[[(2R,3R)-3-sulfanylpyrrolidin-2-yl]methyl]naphthalen-1-yl]-piperazin-1-ylmethanone Traditional Name: [4-[[(2R,3R)-3-mercaptopyrrolidin-2-yl]methyl]-3-(2-methoxyethyl)-1-naphthyl]-piperazino-methanone Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=C(C2=CC=CC=C2C(=C1)C(=O)N3CCNCC3)CC4C(CCN4)S

Isomeric SMILES

COCCC1=C(C2=CC=CC=C2C(=C1)C(=O)N3CCNCC3)C[C@@H]4[C@@H](CCN4)S

InChI

InChI=1S/C23H31N3O2S/c1-28-13-7-16-14-20(23(27)26-11-9-24-10-12-26)18-5-3-2-4-17(18)19(16)15-21-22(29)6-8-25-21/h2-5,14,21-22,24-25,29H,6-13,15H2,1H3/t21-,22-/m1/s1