tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(ethoxycarbonylamino)-2-oxidanylidene-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(ethoxycarbonylamino)-2-oxidanylidene-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-(ethoxycarbonylamino)-2-oxo-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(ethoxycarbonylamino)-2-oxo-3-(4-piperidinylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-(ethoxycarbonylamino)-2-oxo-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(carbethoxyamino)-4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C28H38ClN4O7S+ MolecularWeight: 610.14192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N[N+]1(CCN(C(=O)C1CC2CCNCC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N[N+]1(CCN(C(=O)C1CC2CCNCC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C28H37ClN4O7S/c1-5-39-26(35)31-33(41(37,38)23-9-7-20-17-22(29)8-6-21(20)18-23)15-14-32(27(36)40-28(2,3)4)25(34)24(33)16-19-10-12-30-13-11-19/h6-9,17-19,24,30H,5,10-16H2,1-4H3/p+1