sodium 3-[4-chloranyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenyl]propanoate

Systemtic Name: sodium 3-[4-chloranyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]phenyl]propanoate Openeye Name: sodium 3-[2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-chloro-phenyl]propanoate CAS Name: sodium 3-[4-chloro-2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenyl]propanoate IUPAC Name: sodium 3-[2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-chlorophenyl]propanoate Traditional Name: sodium 3-[2-[(4-benzylsulfonylpiperazino)methyl]-4-chloro-phenyl]propionate Formula: C21H24ClN2NaO4S MolecularWeight: 458.93403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Cl)CCC(=O)[O-])S(=O)(=O)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Cl)CCC(=O)[O-])S(=O)(=O)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H25ClN2O4S.Na/c22-20-8-6-18(7-9-21(25)26)19(14-20)15-23-10-12-24(13-11-23)29(27,28)16-17-4-2-1-3-5-17;/h1-6,8,14H,7,9-13,15-16H2,(H,25,26);/q;+1/p-1