(2S)-N-cyclopropyl-2-[4-(2-phenylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(2-phenylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(2-phenylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-(2-phenylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(2-phenylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(2-phenylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-17(22(26)23-19-11-12-19)24-13-15-25(16-14-24)29(27,28)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,23,26)/p+1/t17-/m0/s1