N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)anilino]-3-keto-propyl]-4-nitro-benzamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6S/c27-21(12-13-23-22(28)17-8-10-19(11-9-17)26(29)30)24-18-6-5-7-20(16-18)33(31,32)25-14-3-1-2-4-15-25/h5-11,16H,1-4,12-15H2,(H,23,28)(H,24,27)