[3-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [3-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [3-[(3-morpholinosulfonylbenzoyl)amino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [3-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [3-[(3-morpholinosulfonylbenzoyl)amino]phenyl] ester Formula: C30H33N3O8S2 MolecularWeight: 627.72832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C30H33N3O8S2/c34-29(23-8-5-12-27(20-23)43(38,39)33-16-18-40-19-17-33)31-25-10-7-11-26(22-25)41-30(35)24-9-6-13-28(21-24)42(36,37)32-14-3-1-2-4-15-32/h5-13,20-22H,1-4,14-19H2,(H,31,34)