N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]adamantane-1-carboxamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C27H33N3O4S/c31-25(18-28-26(32)27-15-19-11-20(16-27)13-21(12-19)17-27)29-7-9-30(10-8-29)35(33,34)24-6-5-22-3-1-2-4-23(22)14-24/h1-6,14,19-21H,7-13,15-18H2,(H,28,32)