4-[(3-methyl-4-nitroso-phenyl)-propan-2-yl-amino]butane-1-sulfonic acid

Systemtic Name: 4-[(3-methyl-4-nitroso-phenyl)-propan-2-yl-amino]butane-1-sulfonic acid Openeye Name: 4-(N-isopropyl-3-methyl-4-nitroso-anilino)butane-1-sulfonic acid CAS Name: 4-(3-methyl-4-nitroso-N-propan-2-ylanilino)-1-butanesulfonic acid IUPAC Name: 4-(3-methyl-4-nitroso-N-propan-2-ylanilino)butane-1-sulfonic acid Traditional Name: 4-(N-isopropyl-3-methyl-4-nitroso-anilino)butane-1-sulfonic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-11(2)16(8-4-5-9-21(18,19)20)13-6-7-14(15-17)12(3)10-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,20)