4-[(phenylmethyl)amino]butane-1-sulfonic acid

Systemtic Name: 4-[(phenylmethyl)amino]butane-1-sulfonic acid Openeye Name: 4-(benzylamino)butane-1-sulfonic acid CAS Name: 4-[(phenylmethyl)amino]-1-butanesulfonic acid IUPAC Name: 4-(benzylamino)butane-1-sulfonic acid Traditional Name: 4-(benzylamino)butane-1-sulfonic acid Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCS(=O)(=O)O

InChI

InChI=1S/C11H17NO3S/c13-16(14,15)9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,13,14,15)