2-[(4S)-4-azanyl-5-oxidanyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]-1-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 2-[(4S)-4-azanyl-5-oxidanyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[(4S)-4-amino-5-hydroxy-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 2-[(4S)-4-amino-5-hydroxy-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[(4S)-4-amino-5-hydroxy-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-[(4S)-4-amino-5-hydroxy-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]-1-tosyl-guanidine Formula: C20H29N5O3S2 MolecularWeight: 451.60596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(C2=NC3=C(S2)CCCC3)O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(C2=NC3=C(S2)CCCC3)O)N)N

InChI

InChI=1S/C20H29N5O3S2/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/h8-11,15,18,26H,2-7,12,21H2,1H3,(H3,22,23,25)/t15-,18?/m0/s1