phenyl 4-methoxy-2-methyl-5-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonate

Systemtic Name: phenyl 4-methoxy-2-methyl-5-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonate Openeye Name: phenyl 4-methoxy-2-methyl-5-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonate CAS Name: 4-methoxy-2-methyl-5-[5-[(2-phenyl-1-azepanyl)methyl]-1H-pyrrol-2-yl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-methoxy-2-methyl-5-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonate Traditional Name: 4-methoxy-2-methyl-5-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonic acid phenyl ester Formula: C31H34N2O4S MolecularWeight: 530.67766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C2=CC=C(N2)CN3CCCCCC3C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H34N2O4S/c1-23-20-30(36-2)27(21-31(23)38(34,35)37-26-14-8-4-9-15-26)28-18-17-25(32-28)22-33-19-11-5-10-16-29(33)24-12-6-3-7-13-24/h3-4,6-9,12-15,17-18,20-21,29,32H,5,10-11,16,19,22H2,1-2H3