dodecyl 7-bromanyl-5-(2-methoxysulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: dodecyl 7-bromanyl-5-(2-methoxysulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: dodecyl 7-bromo-5-(2-methoxysulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 7-bromo-5-[(2-methoxysulfonylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid dodecyl ester IUPAC Name: dodecyl 7-bromo-5-(2-methoxysulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 7-bromo-5-(2-methoxysulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid lauryl ester Formula: C28H38BrNO6S MolecularWeight: 596.57342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1CCN2C1=C(C=C2C(=O)C3=CC=CC=C3S(=O)(=O)OC)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1CCN2C1=C(C=C2C(=O)C3=CC=CC=C3S(=O)(=O)OC)Br

InChI

InChI=1S/C28H38BrNO6S/c1-3-4-5-6-7-8-9-10-11-14-19-36-28(32)22-17-18-30-24(20-23(29)26(22)30)27(31)21-15-12-13-16-25(21)37(33,34)35-2/h12-13,15-16,20,22H,3-11,14,17-19H2,1-2H3