N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-1-tosyl-isonipecotamide Formula: C26H39N5O5S MolecularWeight: 533.68336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)N

InChI

InChI=1S/C26H39N5O5S/c1-5-6-14-31-23(27)22(24(32)28-26(31)34)30(17-11-18(2)3)25(33)20-12-15-29(16-13-20)37(35,36)21-9-7-19(4)8-10-21/h7-10,18,20H,5-6,11-17,27H2,1-4H3,(H,28,32,34)