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

Systemtic Name: 2-[(4S)-4-azanyl-5-(1-methylbenzimidazol-2-yl)-5-oxidanyl-pentyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[(4S)-4-amino-5-hydroxy-5-(1-methylbenzimidazol-2-yl)pentyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 2-[(4S)-4-amino-5-hydroxy-5-(1-methyl-2-benzimidazolyl)pentyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[(4S)-4-amino-5-hydroxy-5-(1-methylbenzimidazol-2-yl)pentyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-[(4S)-4-amino-5-hydroxy-5-(1-methylbenzimidazol-2-yl)pentyl]-1-tosyl-guanidine Formula: C21H28N6O3S MolecularWeight: 444.55042

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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=C3N2C)O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(C2=NC3=CC=CC=C3N2C)O)N)N

InChI

InChI=1S/C21H28N6O3S/c1-14-9-11-15(12-10-14)31(29,30)26-21(23)24-13-5-6-16(22)19(28)20-25-17-7-3-4-8-18(17)27(20)2/h3-4,7-12,16,19,28H,5-6,13,22H2,1-2H3,(H3,23,24,26)/t16-,19?/m0/s1