2-[(4S)-4-[(3-methylphenyl)sulfonylamino]-5-morpholin-4-yl-5-oxidanylidene-pentyl]-1-nitro-guanidine

Systemtic Name: 2-[(4S)-4-[(3-methylphenyl)sulfonylamino]-5-morpholin-4-yl-5-oxidanylidene-pentyl]-1-nitro-guanidine Openeye Name: 2-[(4S)-5-morpholino-4-(m-tolylsulfonylamino)-5-oxo-pentyl]-1-nitro-guanidine CAS Name: 2-[(4S)-4-[(3-methylphenyl)sulfonylamino]-5-(4-morpholinyl)-5-oxopentyl]-1-nitroguanidine IUPAC Name: 2-[(4S)-4-[(3-methylphenyl)sulfonylamino]-5-morpholin-4-yl-5-oxopentyl]-1-nitroguanidine Traditional Name: 2-[(4S)-5-keto-5-morpholino-4-(m-tolylsulfonylamino)pentyl]-1-nitro-guanidine Formula: C17H26N6O6S MolecularWeight: 442.48994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)N2CCOCC2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)N2CCOCC2

InChI

InChI=1S/C17H26N6O6S/c1-13-4-2-5-14(12-13)30(27,28)21-15(16(24)22-8-10-29-11-9-22)6-3-7-19-17(18)20-23(25)26/h2,4-5,12,15,21H,3,6-11H2,1H3,(H3,18,19,20)/t15-/m0/s1