N-[[(5S)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-3-yl]-methoxy-methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[(5S)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-3-yl]-methoxy-methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[(5S)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-3-yl]-methoxy-methyl]isoquinoline-5-sulfonamide CAS Name: N-[[(5S)-5-[(4-chlorophenyl)methoxymethyl]-3-pyrrolidinyl]-methoxymethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[(5S)-5-[(4-chlorophenyl)methoxymethyl]pyrrolidin-3-yl]-methoxymethyl]isoquinoline-5-sulfonamide Traditional Name: N-[[(5S)-5-[(4-chlorobenzyl)oxymethyl]pyrrolidin-3-yl]-methoxy-methyl]isoquinoline-5-sulfonamide Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CC(NC1)COCC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC(C1C[C@H](NC1)COCC2=CC=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H26ClN3O4S/c1-30-23(27-32(28,29)22-4-2-3-17-12-25-10-9-21(17)22)18-11-20(26-13-18)15-31-14-16-5-7-19(24)8-6-16/h2-10,12,18,20,23,26-27H,11,13-15H2,1H3/t18?,20-,23?/m0/s1