N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methylsulfonyl-propyl-amino]ethanamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methylsulfonyl-propyl-amino]ethanamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(7,7-dimethyl-2-oxo-norbornan-1-yl)methylsulfonyl-propyl-amino]acetamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-2-[(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]acetamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methylsulfonyl-propylamino]acetamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-2-[(2-keto-7,7-dimethyl-norbornan-1-yl)methylsulfonyl-propyl-amino]acetamide Formula: C31H44BrN3O4S MolecularWeight: 634.66776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCC)S(=O)(=O)CC34CCC(C3(C)C)CC4=O

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCC)S(=O)(=O)CC34CCC(C3(C)C)CC4=O

InChI

InChI=1S/C31H44BrN3O4S/c1-5-7-17-34(21-27-9-8-18-33(27)20-24-10-12-26(32)13-11-24)29(37)22-35(16-6-2)40(38,39)23-31-15-14-25(19-28(31)36)30(31,3)4/h8-13,18,25H,5-7,14-17,19-23H2,1-4H3