3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-[(2-chlorophenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-[(2-chlorophenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-[(2-chlorophenyl)methyl]isoindolin-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)anilino]-2-[(2-chlorophenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-[(2-chlorophenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)anilino]-2-(2-chlorobenzyl)isoindolin-1-one Formula: C27H28ClN3O3S MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

InChI

InChI=1S/C27H28ClN3O3S/c28-25-12-6-3-9-20(25)19-31-26(23-10-4-5-11-24(23)27(31)32)29-21-13-15-22(16-14-21)35(33,34)30-17-7-1-2-8-18-30/h3-6,9-16,26,29H,1-2,7-8,17-19H2