methyl (2R)-4-methylsulfonyl-1-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazine-2-carboxylate

Systemtic Name: methyl (2R)-4-methylsulfonyl-1-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazine-2-carboxylate Openeye Name: methyl (2R)-4-methylsulfonyl-1-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazine-2-carboxylate CAS Name: (2R)-4-methylsulfonyl-1-[[2-(1-pyrrolidinylmethyl)-1H-indol-5-yl]methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-methylsulfonyl-1-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazine-2-carboxylate Traditional Name: (2R)-4-mesyl-1-[[2-(pyrrolidinomethyl)-1H-indol-5-yl]methyl]piperazine-2-carboxylic acid methyl ester Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1CC2=CC3=C(C=C2)NC(=C3)CN4CCCC4)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H]1CN(CCN1CC2=CC3=C(C=C2)NC(=C3)CN4CCCC4)S(=O)(=O)C

InChI

InChI=1S/C21H30N4O4S/c1-29-21(26)20-15-25(30(2,27)28)10-9-24(20)13-16-5-6-19-17(11-16)12-18(22-19)14-23-7-3-4-8-23/h5-6,11-12,20,22H,3-4,7-10,13-15H2,1-2H3/t20-/m1/s1