2-azanyl-N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-azanyl-N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-1,3-benzothiazole-6-sulfonamide CAS Name: 2-amino-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-amino-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-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(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

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