tert-butyl 4-azanylpiperidine-1-carboxylate; propanoyl 3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoate

Systemtic Name: tert-butyl 4-azanylpiperidine-1-carboxylate; propanoyl 3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoate Openeye Name: tert-butyl 4-aminopiperidine-1-carboxylate; propanoyl 3-[(6-chloro-2-naphthyl)sulfonyl]propanoate CAS Name: 4-amino-1-piperidinecarboxylic acid tert-butyl ester; 3-[(6-chloro-2-naphthalenyl)sulfonyl]propanoic acid 1-oxopropyl ester IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate; propanoyl 3-(6-chloronaphthalen-2-yl)sulfonylpropanoate Traditional Name: 4-aminopiperidine-1-carboxylic acid tert-butyl ester; 3-[(6-chloro-2-naphthyl)sulfonyl]propionic acid propionyl ester Formula: C26H35ClN2O7S MolecularWeight: 555.0833

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl.CC(C)(C)OC(=O)N1CCC(CC1)N

Isomeric SMILES

CCC(=O)OC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl.CC(C)(C)OC(=O)N1CCC(CC1)N

InChI

InChI=1S/C16H15ClO5S.C10H20N2O2/c1-2-15(18)22-16(19)7-8-23(20,21)14-6-4-11-9-13(17)5-3-12(11)10-14;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h3-6,9-10H,2,7-8H2,1H3;8H,4-7,11H2,1-3H3