[(E)-[azanyl(phenyl)methylidene]amino] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(E)-[azanyl(phenyl)methylidene]amino] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(E)-[amino(phenyl)methylene]amino] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(E)-[amino(phenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino(phenyl)methylidene]amino] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(E)-[amino(phenyl)methylene]amino] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)ON=C(C3=CC=CC=C3)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O/N=C(\C3=CC=CC=C3)/N

InChI

InChI=1S/C20H23N3O4S/c21-19(16-8-4-3-5-9-16)22-27-20(24)17-10-12-18(13-11-17)28(25,26)23-14-6-1-2-7-15-23/h3-5,8-13H,1-2,6-7,14-15H2,(H2,21,22)