2-azanyl-N-(2-methylpropyl)-N-[(2R)-2-oxidanyl-3-[(phenylmethyl)amino]propyl]-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-azanyl-N-(2-methylpropyl)-N-[(2R)-2-oxidanyl-3-[(phenylmethyl)amino]propyl]-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-amino-N-[(2R)-3-(benzylamino)-2-hydroxy-propyl]-N-isobutyl-1,3-benzothiazole-6-sulfonamide CAS Name: 2-amino-N-[(2R)-2-hydroxy-3-[(phenylmethyl)amino]propyl]-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-amino-N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-amino-N-[(2R)-3-(benzylamino)-2-hydroxy-propyl]-N-isobutyl-1,3-benzothiazole-6-sulfonamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CNCC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C)CN(C[C@@H](CNCC1=CC=CC=C1)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C21H28N4O3S2/c1-15(2)13-25(14-17(26)12-23-11-16-6-4-3-5-7-16)30(27,28)18-8-9-19-20(10-18)29-21(22)24-19/h3-10,15,17,23,26H,11-14H2,1-2H3,(H2,22,24)/t17-/m1/s1