N-[4-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(1R,3S)-3-methylcyclohexyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C19H29N3O3S/c1-15-4-3-5-18(14-15)21-10-12-22(13-11-21)26(24,25)19-8-6-17(7-9-19)20-16(2)23/h6-9,15,18H,3-5,10-14H2,1-2H3,(H,20,23)/p+1/t15-,18+/m0/s1