(2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O4S/c1-16(21(26)23-18-8-9-20(29-2)19(22)14-18)24-10-12-25(13-11-24)30(27,28)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1