[4-(2-azanylethylamino)-2-nitro-5-(phenylmethyl)sulfonyl-phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-(2-azanylethylamino)-2-nitro-5-(phenylmethyl)sulfonyl-phenyl]-piperazin-1-yl-methanone Openeye Name: [4-(2-aminoethylamino)-5-benzylsulfonyl-2-nitro-phenyl]-piperazin-1-yl-methanone CAS Name: [4-(2-aminoethylamino)-2-nitro-5-(phenylmethyl)sulfonylphenyl]-(1-piperazinyl)methanone IUPAC Name: [4-(2-aminoethylamino)-5-benzylsulfonyl-2-nitrophenyl]-piperazin-1-ylmethanone Traditional Name: [4-(2-aminoethylamino)-5-benzylsulfonyl-2-nitro-phenyl]-piperazino-methanone Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCCN)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCCN)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O5S/c21-6-7-23-17-13-18(25(27)28)16(20(26)24-10-8-22-9-11-24)12-19(17)31(29,30)14-15-4-2-1-3-5-15/h1-5,12-13,22-23H,6-11,14,21H2