(2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H33N3O4S/c1-17(21(25)22-18-7-5-3-4-6-8-18)23-13-15-24(16-14-23)29(26,27)20-11-9-19(28-2)10-12-20/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1