N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methoxyethyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(benzenesulfonyl)-N-(2-methoxyethyl)-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-besyl-N-(2-methoxyethyl)isonipecotamide Formula: C23H33N5O6S MolecularWeight: 507.60302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O6S/c1-3-4-12-28-20(24)19(21(29)25-23(28)31)27(15-16-34-2)22(30)17-10-13-26(14-11-17)35(32,33)18-8-6-5-7-9-18/h5-9,17H,3-4,10-16,24H2,1-2H3,(H,25,29,31)