methyl 4-[2-[2-[bis(methylsulfonyl)amino]phenyl]ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-[2-[bis(methylsulfonyl)amino]phenyl]ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Openeye Name: methyl 4-[2-[2-[bis(methylsulfonyl)amino]phenyl]acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[2-[2-[bis(methylsulfonyl)amino]phenyl]-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-[bis(methylsulfonyl)amino]phenyl]acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[2-[2-(dimesylamino)phenyl]acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid methyl ester Formula: C21H32N4O7S2 MolecularWeight: 516.63138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC=C3N(S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC=C3N(S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C21H32N4O7S2/c1-32-21(27)23-12-13-24(18(16-23)15-22-10-6-7-11-22)20(26)14-17-8-4-5-9-19(17)25(33(2,28)29)34(3,30)31/h4-5,8-9,18H,6-7,10-16H2,1-3H3