N-[2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]ethyl]-4-oxidanyl-benzamide

Systemtic Name: N-[2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]ethyl]-4-oxidanyl-benzamide Openeye Name: N-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]ethyl]-4-hydroxy-benzamide CAS Name: N-[2-[4-(1-azepanylsulfonyl)-2-nitroanilino]ethyl]-4-hydroxybenzamide IUPAC Name: N-[2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]ethyl]-4-hydroxybenzamide Traditional Name: N-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]ethyl]-4-hydroxy-benzamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC(=O)C3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC(=O)C3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c26-17-7-5-16(6-8-17)21(27)23-12-11-22-19-10-9-18(15-20(19)25(28)29)32(30,31)24-13-3-1-2-4-14-24/h5-10,15,22,26H,1-4,11-14H2,(H,23,27)