2-[(4-bromanyl-2-nitro-phenyl)-(phenylsulfonyl)amino]-N-(cyclododecylideneamino)ethanamide

Systemtic Name: 2-[(4-bromanyl-2-nitro-phenyl)-(phenylsulfonyl)amino]-N-(cyclododecylideneamino)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-bromo-2-nitro-anilino]-N-(cyclododecylideneamino)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-bromo-2-nitroanilino]-N-(cyclododecylideneamino)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-bromo-2-nitroanilino]-N-(cyclododecylideneamino)acetamide Traditional Name: 2-(N-besyl-4-bromo-2-nitro-anilino)-N-(cyclododecylideneamino)acetamide Formula: C26H33BrN4O5S MolecularWeight: 593.53302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC(=O)CN(C2=C(C=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC(=O)CN(C2=C(C=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CCCCC1

InChI

InChI=1S/C26H33BrN4O5S/c27-21-17-18-24(25(19-21)31(33)34)30(37(35,36)23-15-11-8-12-16-23)20-26(32)29-28-22-13-9-6-4-2-1-3-5-7-10-14-22/h8,11-12,15-19H,1-7,9-10,13-14,20H2,(H,29,32)