1-[4-[(3-bromophenyl)amino]pyridin-3-yl]sulfonyl-3-cyano-2-propan-2-yl-guanidine

Systemtic Name: 1-[4-[(3-bromophenyl)amino]pyridin-3-yl]sulfonyl-3-cyano-2-propan-2-yl-guanidine Openeye Name: 1-[[4-(3-bromoanilino)-3-pyridyl]sulfonyl]-3-cyano-2-isopropyl-guanidine CAS Name: 1-[[4-(3-bromoanilino)-3-pyridinyl]sulfonyl]-3-cyano-2-propan-2-ylguanidine IUPAC Name: 1-[4-(3-bromoanilino)pyridin-3-yl]sulfonyl-3-cyano-2-propan-2-ylguanidine Traditional Name: 1-[[4-(3-bromoanilino)-3-pyridyl]sulfonyl]-3-cyano-2-isopropyl-guanidine Formula: C16H17BrN6O2S MolecularWeight: 437.31418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H17BrN6O2S/c1-11(2)21-16(20-10-18)23-26(24,25)15-9-19-7-6-14(15)22-13-5-3-4-12(17)8-13/h3-9,11H,1-2H3,(H,19,22)(H2,20,21,23)