4-[(4-azanyl-2-methyl-phenyl)-propan-2-yl-amino]butane-1-sulfonic acid

Systemtic Name: 4-[(4-azanyl-2-methyl-phenyl)-propan-2-yl-amino]butane-1-sulfonic acid Openeye Name: 4-(4-amino-N-isopropyl-2-methyl-anilino)butane-1-sulfonic acid CAS Name: 4-(4-amino-2-methyl-N-propan-2-ylanilino)-1-butanesulfonic acid IUPAC Name: 4-(4-amino-2-methyl-N-propan-2-ylanilino)butane-1-sulfonic acid Traditional Name: 4-(4-amino-N-isopropyl-2-methyl-anilino)butane-1-sulfonic acid Formula: C14H24N2O3S MolecularWeight: 300.41696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N(CCCCS(=O)(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N)N(CCCCS(=O)(=O)O)C(C)C

InChI

InChI=1S/C14H24N2O3S/c1-11(2)16(8-4-5-9-20(17,18)19)14-7-6-13(15)10-12(14)3/h6-7,10-11H,4-5,8-9,15H2,1-3H3,(H,17,18,19)