4-phenylbutyl 2-(phenylmethyl)sulfonyl-1,2-diazinane-1-carboxylate

Systemtic Name: 4-phenylbutyl 2-(phenylmethyl)sulfonyl-1,2-diazinane-1-carboxylate Openeye Name: 4-phenylbutyl 2-benzylsulfonylhexahydropyridazine-1-carboxylate CAS Name: 2-(phenylmethyl)sulfonyl-1-diazinanecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 2-benzylsulfonyldiazinane-1-carboxylate Traditional Name: 2-benzylsulfonylhexahydropyridazine-1-carboxylic acid 4-phenylbutyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(N(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(N(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c25-22(28-18-10-7-13-20-11-3-1-4-12-20)23-16-8-9-17-24(23)29(26,27)19-21-14-5-2-6-15-21/h1-6,11-12,14-15H,7-10,13,16-19H2