4-(azepan-1-ylsulfonyl)-N-[(E)-furan-2-ylmethylideneamino]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(E)-furan-2-ylmethylideneamino]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(E)-2-furylmethyleneamino]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(E)-2-furanylmethylideneamino]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(E)-furan-2-ylmethylideneamino]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(E)-2-furfurylideneamino]benzamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN=CC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CO3

InChI

InChI=1S/C18H21N3O4S/c22-18(20-19-14-16-6-5-13-25-16)15-7-9-17(10-8-15)26(23,24)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,22)/b19-14+