1-[(3-methoxyphenyl)-(phenylmethyl)amino]butane-2-sulfonic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(phenylmethyl)amino]butane-2-sulfonic acid Openeye Name: 1-(N-benzyl-3-methoxy-anilino)butane-2-sulfonic acid CAS Name: 1-(3-methoxy-N-(phenylmethyl)anilino)-2-butanesulfonic acid IUPAC Name: 1-(N-benzyl-3-methoxyanilino)butane-2-sulfonic acid Traditional Name: 1-(N-benzyl-3-methoxy-anilino)butane-2-sulfonic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CC1=CC=CC=C1)C2=CC(=CC=C2)OC)S(=O)(=O)O

Isomeric SMILES

CCC(CN(CC1=CC=CC=C1)C2=CC(=CC=C2)OC)S(=O)(=O)O

InChI

InChI=1S/C18H23NO4S/c1-3-18(24(20,21)22)14-19(13-15-8-5-4-6-9-15)16-10-7-11-17(12-16)23-2/h4-12,18H,3,13-14H2,1-2H3,(H,20,21,22)