4-methylbenzenesulfonic acid; 1-[1-oxidanyl-2-(propan-2-ylamino)ethyl]-4-(sulfamoylamino)benzene

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[1-oxidanyl-2-(propan-2-ylamino)ethyl]-4-(sulfamoylamino)benzene Openeye Name: 1-[1-hydroxy-2-(isopropylamino)ethyl]-4-(sulfamoylamino)benzene; 4-methylbenzenesulfonic acid CAS Name: 1-[1-hydroxy-2-(propan-2-ylamino)ethyl]-4-(sulfamoylamino)benzene; 4-methylbenzenesulfonic acid IUPAC Name: 1-[1-hydroxy-2-(propan-2-ylamino)ethyl]-4-(sulfamoylamino)benzene; 4-methylbenzenesulfonic acid Traditional Name: 1-[1-hydroxy-2-(isopropylamino)ethyl]-4-(sulfamoylamino)benzene; tosylic acid Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)N)O

InChI

InChI=1S/C11H19N3O3S.C7H8O3S/c1-8(2)13-7-11(15)9-3-5-10(6-4-9)14-18(12,16)17;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8,11,13-15H,7H2,1-2H3,(H2,12,16,17);2-5H,1H3,(H,8,9,10)