1-[(2S)-5-(diethylazaniumyl)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonyl-pyrrole-3-carboximidate

Systemtic Name: 1-[(2S)-5-(diethylazaniumyl)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonyl-pyrrole-3-carboximidate Openeye Name: 1-[(1S)-4-(diethylammonio)-1-methyl-butyl]-2,5-dimethyl-N-(p-tolylsulfonyl)pyrrole-3-carboximidate CAS Name: 1-[(2S)-5-(diethylammonio)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonyl-3-pyrrolecarboximidate IUPAC Name: 1-[(2S)-5-(diethylazaniumyl)pentan-2-yl]-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboximidate Traditional Name: 1-[(1S)-4-(diethylammonio)-1-methyl-butyl]-2,5-dimethyl-N-tosyl-pyrrole-3-carboximidate Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)N1C(=CC(=C1C)C(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-])C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)N1C(=CC(=C1C)C(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-])C

InChI

InChI=1S/C23H35N3O3S/c1-7-25(8-2)15-9-10-18(4)26-19(5)16-22(20(26)6)23(27)24-30(28,29)21-13-11-17(3)12-14-21/h11-14,16,18H,7-10,15H2,1-6H3,(H,24,27)/t18-/m0/s1