5-[2-azanyl-5-(propan-2-ylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-(propan-2-ylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(isopropylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-(propan-2-ylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(propan-2-ylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(isopropylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(C)C)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(C)C)N)S(=O)(=O)O

InChI

InChI=1S/C16H20N2O5S2/c1-10(2)18-12-5-7-14(17)16(8-12)24(19,20)13-6-4-11(3)15(9-13)25(21,22)23/h4-10,18H,17H2,1-3H3,(H,21,22,23)