tert-butyl 3-carbamimidoyl-4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-benzoate

Systemtic Name: tert-butyl 3-carbamimidoyl-4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-benzoate Openeye Name: tert-butyl 3-carbamimidoyl-4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]benzoate CAS Name: 3-carbamimidoyl-4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamimidoyl-4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-amidino-4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]benzoic acid tert-butyl ester Formula: C27H29ClN4O5S MolecularWeight: 557.06096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=N)N

InChI

InChI=1S/C27H29ClN4O5S/c1-27(2,3)37-26(34)19-6-9-22(23(16-19)24(29)30)25(33)31-10-12-32(13-11-31)38(35,36)21-8-5-17-14-20(28)7-4-18(17)15-21/h4-9,14-16H,10-13H2,1-3H3,(H3,29,30)