(2S)-N-(4-methoxyphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butanamide

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butanamide Traditional Name: (2S)-N-(4-methoxyphenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butyramide Formula: C21H27N4O6S+ MolecularWeight: 463.52728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S/c1-3-20(21(26)22-16-7-9-18(31-2)10-8-16)23-11-13-24(14-12-23)32(29,30)19-6-4-5-17(15-19)25(27)28/h4-10,15,20H,3,11-14H2,1-2H3,(H,22,26)/p+1/t20-/m0/s1