2-azanyl-5-bromanyl-N-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]pyridine-3-sulfonamide

Systemtic Name: 2-azanyl-5-bromanyl-N-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]pyridine-3-sulfonamide Openeye Name: 2-amino-5-bromo-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridine-3-sulfonamide CAS Name: 2-amino-5-bromo-N-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3-pyridinesulfonamide IUPAC Name: 2-amino-5-bromo-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridine-3-sulfonamide Traditional Name: 2-amino-5-bromo-N-[3-keto-3-(4-phenylpiperazino)propyl]pyridine-3-sulfonamide Formula: C18H22BrN5O3S MolecularWeight: 468.36798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC(=CN=C3N)Br

InChI

InChI=1S/C18H22BrN5O3S/c19-14-12-16(18(20)21-13-14)28(26,27)22-7-6-17(25)24-10-8-23(9-11-24)15-4-2-1-3-5-15/h1-5,12-13,22H,6-11H2,(H2,20,21)