ethyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]ethanoate

Systemtic Name: ethyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]ethanoate Openeye Name: ethyl 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl-[1-(4-pyridyl)-4-piperidyl]amino]acetate CAS Name: 2-[[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-(1-pyridin-4-yl-4-piperidinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]acetate Traditional Name: 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl-[1-(4-pyridyl)-4-piperidyl]amino]acetic acid ethyl ester Formula: C27H30ClN3O5S MolecularWeight: 544.0622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1CCN(CC1)C2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CN(C1CCN(CC1)C2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C27H30ClN3O5S/c1-2-36-27(33)19-31(24-9-14-30(15-10-24)23-7-12-29-13-8-23)26(32)11-16-37(34,35)25-6-4-20-17-22(28)5-3-21(20)18-25/h3-8,12-13,17-18,24H,2,9-11,14-16,19H2,1H3