methyl 1-azanyl-3-(2-butoxyphenyl)sulfonyl-2-methylsulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-azanyl-3-(2-butoxyphenyl)sulfonyl-2-methylsulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl 1-amino-3-(2-butoxyphenyl)sulfonyl-2-methylsulfonyl-pyrrolidine-2-carboxylate CAS Name: 1-amino-3-(2-butoxyphenyl)sulfonyl-2-methylsulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-amino-3-(2-butoxyphenyl)sulfonyl-2-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-amino-3-(2-butoxyphenyl)sulfonyl-2-mesyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H26N2O7S2 MolecularWeight: 434.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1S(=O)(=O)C2CCN(C2(C(=O)OC)S(=O)(=O)C)N

Isomeric SMILES

CCCCOC1=CC=CC=C1S(=O)(=O)C2CCN(C2(C(=O)OC)S(=O)(=O)C)N

InChI

InChI=1S/C17H26N2O7S2/c1-4-5-12-26-13-8-6-7-9-14(13)28(23,24)15-10-11-19(18)17(15,16(20)25-2)27(3,21)22/h6-9,15H,4-5,10-12,18H2,1-3H3