[1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-piperidin-2-yl] (2S)-2-azanyl-3-naphthalen-2-yl-propanoate

Systemtic Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-piperidin-2-yl] (2S)-2-azanyl-3-naphthalen-2-yl-propanoate Openeye Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-2-piperidyl] (2S)-2-amino-3-(2-naphthyl)propanoate CAS Name: (2S)-2-amino-3-(2-naphthalenyl)propanoic acid [1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-2-piperidinyl] ester IUPAC Name: [1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidin-2-yl] (2S)-2-amino-3-naphthalen-2-ylpropanoate Traditional Name: (2S)-2-amino-3-(2-naphthyl)propionic acid [1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-2-piperidyl] ester Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)OC(=O)C(CC2=CC3=CC=CC=C3C=C2)N)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCN(C(C1)OC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)N)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H32N2O6S/c1-18-12-13-29(36(31,32)22-10-11-24(33-2)25(17-22)34-3)26(14-18)35-27(30)23(28)16-19-8-9-20-6-4-5-7-21(20)15-19/h4-11,15,17-18,23,26H,12-14,16,28H2,1-3H3/t18?,23-,26?/m0/s1