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

Systemtic Name: [4-(2-azanylethylamino)-2-nitro-5-(phenylsulfonyl)phenyl]-piperazin-1-yl-methanone Openeye Name: [4-(2-aminoethylamino)-5-(benzenesulfonyl)-2-nitro-phenyl]-piperazin-1-yl-methanone CAS Name: [4-(2-aminoethylamino)-5-(benzenesulfonyl)-2-nitrophenyl]-(1-piperazinyl)methanone IUPAC Name: [4-(2-aminoethylamino)-5-(benzenesulfonyl)-2-nitrophenyl]-piperazin-1-ylmethanone Traditional Name: [4-(2-aminoethylamino)-5-besyl-2-nitro-phenyl]-piperazino-methanone Formula: C19H23N5O5S MolecularWeight: 433.48142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5S/c20-6-7-22-16-13-17(24(26)27)15(19(25)23-10-8-21-9-11-23)12-18(16)30(28,29)14-4-2-1-3-5-14/h1-5,12-13,21-22H,6-11,20H2