2-[(4S)-4-azanyl-5-(1,3-benzoxazol-2-yl)-5-oxidanyl-pentyl]-1-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 2-[(4S)-4-azanyl-5-(1,3-benzoxazol-2-yl)-5-oxidanyl-pentyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[(4S)-4-amino-5-(1,3-benzoxazol-2-yl)-5-hydroxy-pentyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 2-[(4S)-4-amino-5-(1,3-benzoxazol-2-yl)-5-hydroxypentyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[(4S)-4-amino-5-(1,3-benzoxazol-2-yl)-5-hydroxypentyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-[(4S)-4-amino-5-(1,3-benzoxazol-2-yl)-5-hydroxy-pentyl]-1-tosyl-guanidine Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(C2=NC3=CC=CC=C3O2)O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(C2=NC3=CC=CC=C3O2)O)N)N

InChI

InChI=1S/C20H25N5O4S/c1-13-8-10-14(11-9-13)30(27,28)25-20(22)23-12-4-5-15(21)18(26)19-24-16-6-2-3-7-17(16)29-19/h2-3,6-11,15,18,26H,4-5,12,21H2,1H3,(H3,22,23,25)/t15-,18?/m0/s1