1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Openeye Name: 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C18H16ClN5O5S2 MolecularWeight: 481.93314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O5S2/c19-11-3-6-13(7-4-11)31(28,29)23-9-1-2-16(23)21-17(25)22-18-20-14-8-5-12(24(26)27)10-15(14)30-18/h3-8,10,16H,1-2,9H2,(H2,20,21,22,25)