ethyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N4O5S+ MolecularWeight: 439.54894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H30N4O5S/c1-3-29-20(26)23-10-8-16(9-11-23)19(25)21-17-4-6-18(7-5-17)30(27,28)24-14-12-22(2)13-15-24/h4-7,16H,3,8-15H2,1-2H3,(H,21,25)/p+1