phenylsulfonyl 2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanoate; pyrrolidine-2-carbonitrile

Systemtic Name: phenylsulfonyl 2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanoate; pyrrolidine-2-carbonitrile Openeye Name: benzenesulfonyl 2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetate; pyrrolidine-2-carbonitrile CAS Name: 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetic acid benzenesulfonyl ester; 2-pyrrolidinecarbonitrile IUPAC Name: benzenesulfonyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate; pyrrolidine-2-carbonitrile Traditional Name: 2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetic acid besyl ester; pyrrolidine-2-carbonitrile Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NCC(=O)OS(=O)(=O)C1=CC=CC=C1.C1CC(NC1)C#N

Isomeric SMILES

CC(C)(CO)NCC(=O)OS(=O)(=O)C1=CC=CC=C1.C1CC(NC1)C#N

InChI

InChI=1S/C12H17NO5S.C5H8N2/c1-12(2,9-14)13-8-11(15)18-19(16,17)10-6-4-3-5-7-10;6-4-5-2-1-3-7-5/h3-7,13-14H,8-9H2,1-2H3;5,7H,1-3H2