phenyl 9-(phenylmethyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate

Systemtic Name: phenyl 9-(phenylmethyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-benzyl-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-(phenylmethyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-benzyl-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-benzyl-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C24H31NO5S2 MolecularWeight: 477.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H31NO5S2/c1-19(2)31(26,27)22-13-14-24(15-22)16-23(18-25(24)17-20-9-5-3-6-10-20)32(28,29)30-21-11-7-4-8-12-21/h3-12,19,22-23H,13-18H2,1-2H3