tert-butyl N-[4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]phenyl]carbamate CAS Name: N-[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]phenyl]carbamate Traditional Name: N-[4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]phenyl]carbamic acid tert-butyl ester Formula: C26H28ClN3O5S MolecularWeight: 530.03562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H28ClN3O5S/c1-26(2,3)35-25(32)28-22-9-4-18(5-10-22)16-29-12-13-30(17-24(29)31)36(33,34)23-11-7-19-14-21(27)8-6-20(19)15-23/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,28,32)