(2R)-N-cyclopropyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclopropyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclopropyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CC3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3CC3)C)C

InChI

InChI=1S/C21H33N3O3S/c1-13-14(2)16(4)20(17(5)15(13)3)28(26,27)24-11-9-23(10-12-24)18(6)21(25)22-19-7-8-19/h18-19H,7-12H2,1-6H3,(H,22,25)/p+1/t18-/m1/s1