N-[[4-azanyl-5-(1,3-benzothiazol-2-yl)-5-oxidanyl-pentyl]amino]-N'-(4-methylphenyl)sulfonyl-methanimidamide

Systemtic Name: N-[[4-azanyl-5-(1,3-benzothiazol-2-yl)-5-oxidanyl-pentyl]amino]-N'-(4-methylphenyl)sulfonyl-methanimidamide Openeye Name: N-[[4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxy-pentyl]amino]-N'-(p-tolylsulfonyl)formamidine CAS Name: N-[[4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]amino]-N'-(4-methylphenyl)sulfonylmethanimidamide IUPAC Name: N-[[4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]amino]-N'-(4-methylphenyl)sulfonylmethanimidamide Traditional Name: N-[[4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxy-pentyl]amino]-N'-tosyl-formamidine Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=CNNCCCC(C(C2=NC3=CC=CC=C3S2)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/NNCCCC(C(C2=NC3=CC=CC=C3S2)O)N

InChI

InChI=1S/C20H25N5O3S2/c1-14-8-10-15(11-9-14)30(27,28)24-13-23-22-12-4-5-16(21)19(26)20-25-17-6-2-3-7-18(17)29-20/h2-3,6-11,13,16,19,22,26H,4-5,12,21H2,1H3,(H,23,24)