calcium (1Z)-N-[4-[(3-methylphenyl)amino]pyridin-3-yl]sulfonyl-1-propan-2-ylazanidyl-methanimidate

Systemtic Name: calcium (1Z)-N-[4-[(3-methylphenyl)amino]pyridin-3-yl]sulfonyl-1-propan-2-ylazanidyl-methanimidate Openeye Name: calcium (1Z)-1-isopropylazanidyl-N-[[4-(3-methylanilino)-3-pyridyl]sulfonyl]methanimidate CAS Name: calcium (1Z)-N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-1-propan-2-ylazanidylmethanimidate IUPAC Name: calcium (1Z)-N-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-1-propan-2-ylazanidylmethanimidate Traditional Name: calcium (1Z)-1-isopropylazanidyl-N-[[4-(m-toluidino)-3-pyridyl]sulfonyl]formimidate Formula: C16H18CaN4O3S MolecularWeight: 386.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N=C([N-]C(C)C)[O-].[Ca+2]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)/N=C(/[N-]C(C)C)\[O-].[Ca+2]

InChI

InChI=1S/C16H19N4O3S.Ca/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13;/h4-11H,1-3H3,(H2-,17,18,19,20,21);/q-1;+2/p-1