2-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]pyrrolidin-2-yl]-1,3-benzothiazole Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S2/c28-27(29)21-16-17(33(30,31)25-13-5-1-2-6-14-25)11-12-19(21)26-15-7-9-20(26)23-24-18-8-3-4-10-22(18)32-23/h3-4,8,10-12,16,20H,1-2,5-7,9,13-15H2