tert-butyl 4-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl-(3-oxidanylidene-3-phenylmethoxy-propyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl-(3-oxidanylidene-3-phenylmethoxy-propyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-benzyloxy-3-oxo-propyl)-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-(3-oxo-3-phenylmethoxypropyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl-(3-oxo-3-phenylmethoxypropyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-benzoxy-3-keto-propyl)-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H39ClN2O7S MolecularWeight: 643.18996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CCC(=O)OCC2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CCC(=O)OCC2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C33H39ClN2O7S/c1-33(2,3)43-32(39)35-17-13-28(14-18-35)36(19-15-31(38)42-23-24-7-5-4-6-8-24)30(37)16-20-44(40,41)29-12-10-25-21-27(34)11-9-26(25)22-29/h4-12,21-22,28H,13-20,23H2,1-3H3