N-[2-[2-(4-chloranylphenoxy)ethylamino]-3-(2-dimethylaminoethyl)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[2-(4-chloranylphenoxy)ethylamino]-3-(2-dimethylaminoethyl)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[2-(4-chlorophenoxy)ethylamino]-3-(2-dimethylaminoethyl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[2-(4-chlorophenoxy)ethylamino]-3-(2-dimethylaminoethyl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[2-(4-chlorophenoxy)ethylamino]-3-(2-dimethylaminoethyl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[2-(4-chlorophenoxy)ethylamino]-3-(2-dimethylaminoethyl)phenyl]isoquinoline-5-sulfonamide Formula: C27H29ClN4O3S MolecularWeight: 525.06216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)CCC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN4O3S/c1-32(2)17-14-20-5-3-7-25(27(20)30-16-18-35-23-11-9-22(28)10-12-23)31-36(33,34)26-8-4-6-21-19-29-15-13-24(21)26/h3-13,15,19,30-31H,14,16-18H2,1-2H3