1,2-benzoxazol-3-ylmethanesulfonamide; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Systemtic Name: 1,2-benzoxazol-3-ylmethanesulfonamide; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Openeye Name: 1,2-benzoxazol-3-ylmethanesulfonamide; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine CAS Name: 1,2-benzoxazol-3-ylmethanesulfonamide; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine IUPAC Name: 1,2-benzoxazol-3-ylmethanesulfonamide; (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Traditional Name: [(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propyl-amine; indoxazen-3-ylmethanesulfonamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCC2=C(C1)SC(=N2)N.C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

Isomeric SMILES

CCCN[C@H]1CCC2=C(C1)SC(=N2)N.C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

InChI

InChI=1S/C10H17N3S.C8H8N2O3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h7,12H,2-6H2,1H3,(H2,11,13);1-4H,5H2,(H2,9,11,12)/t7-;/m0./s1