N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2-cyanophenyl)sulfonylpiperazino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H34N4O4S/c27-18-22-4-1-2-5-23(22)35(33,34)30-10-8-29(9-11-30)24(31)6-3-7-28-25(32)26-15-19-12-20(16-26)14-21(13-19)17-26/h1-2,4-5,19-21H,3,6-17H2,(H,28,32)