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

Systemtic Name: 2-[(4S)-4-azanyl-5-oxidanyl-5-pyridin-2-yl-pentyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[(4S)-4-amino-5-hydroxy-5-(2-pyridyl)pentyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 2-[(4S)-4-amino-5-hydroxy-5-(2-pyridinyl)pentyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[(4S)-4-amino-5-hydroxy-5-pyridin-2-ylpentyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-[(4S)-4-amino-5-hydroxy-5-(2-pyridyl)pentyl]-1-tosyl-guanidine Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(C2=CC=CC=N2)O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(C2=CC=CC=N2)O)N)N

InChI

InChI=1S/C18H25N5O3S/c1-13-7-9-14(10-8-13)27(25,26)23-18(20)22-12-4-5-15(19)17(24)16-6-2-3-11-21-16/h2-3,6-11,15,17,24H,4-5,12,19H2,1H3,(H3,20,22,23)/t15-,17?/m0/s1