N-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-2-(2-dimethylaminoethylamino)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-2-(2-dimethylaminoethylamino)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-2-(2-dimethylaminoethylamino)-N-isobutyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-2-(2-dimethylaminoethylamino)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-2-(2-dimethylaminoethylamino)-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-2-(2-dimethylaminoethylamino)-N-isobutyl-1,3-benzothiazole-6-sulfonamide Formula: C25H37N5O3S2 MolecularWeight: 519.72298

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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)NCCN(C)C

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NCCN(C)C

InChI

InChI=1S/C25H37N5O3S2/c1-18(2)16-30(17-23(31)21(26)14-19-8-6-5-7-9-19)35(32,33)20-10-11-22-24(15-20)34-25(28-22)27-12-13-29(3)4/h5-11,15,18,21,23,31H,12-14,16-17,26H2,1-4H3,(H,27,28)/t21-,23+/m0/s1