4-(3,4-dimethylphenyl)sulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]piperazine-1-carboxamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C23H33N4O4S2+ MolecularWeight: 493.66252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4)C

InChI

InChI=1S/C23H32N4O4S2/c1-18-5-6-20(16-19(18)2)33(29,30)27-9-7-26(8-10-27)23(28)24-17-21(22-4-3-15-32-22)25-11-13-31-14-12-25/h3-6,15-16,21H,7-14,17H2,1-2H3,(H,24,28)/p+1/t21-/m0/s1