4-phenylbutyl 2-(phenylmethyl)sulfonyl-1,2-diazinane-3-carboxylate

Systemtic Name: 4-phenylbutyl 2-(phenylmethyl)sulfonyl-1,2-diazinane-3-carboxylate Openeye Name: 4-phenylbutyl 2-benzylsulfonylhexahydropyridazine-3-carboxylate CAS Name: 2-(phenylmethyl)sulfonyl-3-diazinanecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 2-benzylsulfonyldiazinane-3-carboxylate Traditional Name: 2-benzylsulfonylhexahydropyridazine-3-carboxylic acid 4-phenylbutyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(NC1)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(NC1)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCCCCC3=CC=CC=C3

InChI

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