tert-butyl N-azanyl-N-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]carbonyl-carbamate

Systemtic Name: tert-butyl N-azanyl-N-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]carbonyl-carbamate Openeye Name: tert-butyl N-amino-N-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]benzoyl]carbamate CAS Name: N-amino-N-[[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]phenyl]-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-amino-N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]benzoyl]carbamate Traditional Name: N-amino-N-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]benzoyl]carbamic acid tert-butyl ester Formula: C27H29ClN4O6S MolecularWeight: 573.06036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O6S/c1-27(2,3)38-26(35)32(29)25(34)19-6-4-18(5-7-19)24(33)30-12-14-31(15-13-30)39(36,37)23-11-9-20-16-22(28)10-8-21(20)17-23/h4-11,16-17H,12-15,29H2,1-3H3