methyl 1-methyl-5-[[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-5-[[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-5-[[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylate CAS Name: 1-methyl-5-[[4-(5-propyl-2-pyrimidinyl)-1,4-diazepan-1-yl]sulfonyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-[[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylate Traditional Name: 1-methyl-5-[[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]sulfonyl]pyrrole-2-carboxylic acid methyl ester Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(N3C)C(=O)OC

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(N3C)C(=O)OC

InChI

InChI=1S/C19H27N5O4S/c1-4-6-15-13-20-19(21-14-15)23-9-5-10-24(12-11-23)29(26,27)17-8-7-16(22(17)2)18(25)28-3/h7-8,13-14H,4-6,9-12H2,1-3H3