2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[1-(4-phenylbutanoyl)piperidin-4-yl]ethanoate

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[1-(4-phenylbutanoyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]-2-[1-(4-phenylbutanoyl)-4-piperidyl]acetate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[1-(1-oxo-4-phenylbutyl)-4-piperidinyl]acetate IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[1-(4-phenylbutanoyl)piperidin-4-yl]acetate Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]-2-[1-(4-phenylbutanoyl)-4-piperidyl]acetate Formula: C30H34N3O6S- MolecularWeight: 564.67246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=NC=C2)C(C3CCN(CC3)C(=O)CCCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=NC=C2)C(C3CCN(CC3)C(=O)CCCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C30H35N3O6S/c1-39-26-10-12-27(13-11-26)40(37,38)33(22-24-14-18-31-19-15-24)29(30(35)36)25-16-20-32(21-17-25)28(34)9-5-8-23-6-3-2-4-7-23/h2-4,6-7,10-15,18-19,25,29H,5,8-9,16-17,20-22H2,1H3,(H,35,36)/p-1