N-[4-[1-(4-chloranylphenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-[4-[1-(4-chloranylphenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-[4-[1-(4-chlorophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide hydrochloride CAS Name: N-[4-[1-(4-chlorophenoxy)butyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide hydrochloride IUPAC Name: N-[4-[1-(4-chlorophenoxy)butyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide hydrochloride Traditional Name: N-[4-[1-(4-chlorophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide hydrochloride Formula: C25H31Cl2N3O3S MolecularWeight: 524.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(CCNCC1)N(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)OC4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

CCCC(C1(CCNCC1)N(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)OC4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C25H30ClN3O3S.ClH/c1-3-5-24(32-21-10-8-20(26)9-11-21)25(13-16-27-17-14-25)29(2)33(30,31)23-7-4-6-19-18-28-15-12-22(19)23;/h4,6-12,15,18,24,27H,3,5,13-14,16-17H2,1-2H3;1H