ethyl 4-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-nitrophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[2-[(4-nitrophenyl)thio]propanoylamino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H30N4O6S MolecularWeight: 466.5511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O6S/c1-3-31-21(28)24-13-10-16(11-14-24)23-19(26)5-4-12-22-20(27)15(2)32-18-8-6-17(7-9-18)25(29)30/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,22,27)(H,23,26)