N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-(6-chloro-3-pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(6-chloropyridazin-3-yl)nipecotamide Formula: C23H30ClN5O3S MolecularWeight: 492.034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H30ClN5O3S/c1-17-8-9-19(15-20(17)33(31,32)29-13-4-2-3-5-14-29)25-23(30)18-7-6-12-28(16-18)22-11-10-21(24)26-27-22/h8-11,15,18H,2-7,12-14,16H2,1H3,(H,25,30)