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

Systemtic Name: tert-butyl 4-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-4-(ethoxycarbonylamino)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-4-(ethoxycarbonylamino)piperidine-1-carboxylate CAS Name: 4-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-4-(ethoxycarbonylamino)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-4-(ethoxycarbonylamino)piperidine-1-carboxylate Traditional Name: 4-(carbethoxyamino)-4-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H35ClN4O7S MolecularWeight: 595.1074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C27H35ClN4O7S/c1-5-38-24(34)29-27(10-12-30(13-11-27)25(35)39-26(2,3)4)32-15-14-31(18-23(32)33)40(36,37)22-9-7-19-16-21(28)8-6-20(19)17-22/h6-9,16-17H,5,10-15,18H2,1-4H3,(H,29,34)