(E)-4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(1-azepanylsulfonyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-keto-but-2-enoic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H20N2O5S/c19-15(9-10-16(20)21)17-13-5-7-14(8-6-13)24(22,23)18-11-3-1-2-4-12-18/h5-10H,1-4,11-12H2,(H,17,19)(H,20,21)/b10-9+