ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H26N4O7S2 MolecularWeight: 546.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N4O7S2/c1-2-35-22(29)16-27-20-12-9-18(28(31)32)15-21(20)36-24(27)25-23(30)17-7-10-19(11-8-17)37(33,34)26-13-5-3-4-6-14-26/h7-12,15H,2-6,13-14,16H2,1H3