tert-butyl 4-[2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]amino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]amino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]amino]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]amino]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]amino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H33ClN4O6S MolecularWeight: 565.08142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H33ClN4O6S/c1-26(2,3)37-25(34)29-10-8-18(9-11-29)14-23(32)28-31-13-12-30(17-24(31)33)38(35,36)22-7-5-19-15-21(27)6-4-20(19)16-22/h4-7,15-16,18H,8-14,17H2,1-3H3,(H,28,32)