[(3S,4R)-3-methyl-4-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1-(phenylmethyl)pyrrolidin-3-yl] ethanoate

Systemtic Name: [(3S,4R)-3-methyl-4-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1-(phenylmethyl)pyrrolidin-3-yl] ethanoate Openeye Name: [(3S,4R)-1-benzyl-3-methyl-4-[4-(1-naphthylsulfonyl)piperazin-1-yl]pyrrolidin-3-yl] acetate CAS Name: acetic acid [(3S,4R)-3-methyl-4-[4-(1-naphthalenylsulfonyl)-1-piperazinyl]-1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3S,4R)-1-benzyl-3-methyl-4-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrrolidin-3-yl] acetate Traditional Name: acetic acid [(3S,4R)-1-benzyl-3-methyl-4-[4-(1-naphthylsulfonyl)piperazino]pyrrolidin-3-yl] ester Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CN(CC1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5)C

Isomeric SMILES

CC(=O)O[C@]1(CN(C[C@H]1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H33N3O4S/c1-22(32)35-28(2)21-29(19-23-9-4-3-5-10-23)20-27(28)30-15-17-31(18-16-30)36(33,34)26-14-8-12-24-11-6-7-13-25(24)26/h3-14,27H,15-21H2,1-2H3/t27-,28+/m1/s1