tert-butyl carbamate; 1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(7-methylnaphthalen-2-yl)methyl]piperazine

Systemtic Name: tert-butyl carbamate; 1-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(7-methylnaphthalen-2-yl)methyl]piperazine Openeye Name: tert-butyl carbamate; 1-[(6-chloro-2-naphthyl)sulfonyl]-4-[(7-methyl-2-naphthyl)methyl]piperazine CAS Name: carbamic acid tert-butyl ester; 1-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(7-methyl-2-naphthalenyl)methyl]piperazine IUPAC Name: tert-butyl carbamate; 1-(6-chloronaphthalen-2-yl)sulfonyl-4-[(7-methylnaphthalen-2-yl)methyl]piperazine Traditional Name: carbamic acid tert-butyl ester; 1-[(6-chloro-2-naphthyl)sulfonyl]-4-[(7-methyl-2-naphthyl)methyl]piperazine Formula: C31H36ClN3O4S MolecularWeight: 582.15324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=CC(=C2)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.CC(C)(C)OC(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)C=CC(=C2)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.CC(C)(C)OC(=O)N

InChI

InChI=1S/C26H25ClN2O2S.C5H11NO2/c1-19-2-4-21-5-3-20(15-24(21)14-19)18-28-10-12-29(13-11-28)32(30,31)26-9-7-22-16-25(27)8-6-23(22)17-26;1-5(2,3)8-4(6)7/h2-9,14-17H,10-13,18H2,1H3;1-3H3,(H2,6,7)