2-[(4-butylphenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(4-butylphenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-4-butyl-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-4-butylanilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-4-butylanilino]acetic acid Traditional Name: 2-(N-besyl-4-butyl-anilino)acetic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S/c1-2-3-7-15-10-12-16(13-11-15)19(14-18(20)21)24(22,23)17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14H2,1H3,(H,20,21)