2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octyl-benzoic acid

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octyl-benzoic acid Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octyl-benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]-4-octylbenzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-4-octylbenzoic acid Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazino)methyl]-4-octyl-benzoic acid Formula: C28H41N3O5S MolecularWeight: 531.70724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C(=C1CN2CCN(CC2)C)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCC1=C(C=C(C(=C1CN2CCN(CC2)C)N)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H41N3O5S/c1-4-5-6-7-8-9-10-23-25(20-31-17-15-30(2)16-18-31)27(29)24(28(32)33)19-26(23)37(34,35)22-13-11-21(36-3)12-14-22/h11-14,19H,4-10,15-18,20,29H2,1-3H3,(H,32,33)