3-methyl-N-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)phenyl]butanamide Traditional Name: 3-methyl-N-[4-(2-nitro-4-pyrrolidinosulfonyl-anilino)phenyl]butyramide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-15(2)13-21(26)23-17-7-5-16(6-8-17)22-19-10-9-18(14-20(19)25(27)28)31(29,30)24-11-3-4-12-24/h5-10,14-15,22H,3-4,11-13H2,1-2H3,(H,23,26)