tert-butyl N-[[4-[4-[(4-cyanophenyl)methyl]-3-oxidanylidene-piperazin-1-yl]sulfonylphenyl]methyl]-N-pyridin-4-yl-carbamate

Systemtic Name: tert-butyl N-[[4-[4-[(4-cyanophenyl)methyl]-3-oxidanylidene-piperazin-1-yl]sulfonylphenyl]methyl]-N-pyridin-4-yl-carbamate Openeye Name: tert-butyl N-[[4-[4-[(4-cyanophenyl)methyl]-3-oxo-piperazin-1-yl]sulfonylphenyl]methyl]-N-(4-pyridyl)carbamate CAS Name: N-[[4-[[4-[(4-cyanophenyl)methyl]-3-oxo-1-piperazinyl]sulfonyl]phenyl]methyl]-N-pyridin-4-ylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-[(4-cyanophenyl)methyl]-3-oxopiperazin-1-yl]sulfonylphenyl]methyl]-N-pyridin-4-ylcarbamate Traditional Name: N-[4-[4-(4-cyanobenzyl)-3-keto-piperazino]sulfonylbenzyl]-N-(4-pyridyl)carbamic acid tert-butyl ester Formula: C29H31N5O5S MolecularWeight: 561.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3=CC=C(C=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3=CC=C(C=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C29H31N5O5S/c1-29(2,3)39-28(36)34(25-12-14-31-15-13-25)20-24-8-10-26(11-9-24)40(37,38)33-17-16-32(27(35)21-33)19-23-6-4-22(18-30)5-7-23/h4-15H,16-17,19-21H2,1-3H3