N-(2-morpholin-4-ylethyl)-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide Openeye Name: N-(2-morpholinoethyl)-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide CAS Name: N-[2-(4-morpholinyl)ethyl]-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide IUPAC Name: N-(2-morpholin-4-ylethyl)-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide Traditional Name: N-(2-morpholinoethyl)-3-nitro-4-(3-phenylpropylamino)benzenesulfonamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNS(=O)(=O)C2=CC(=C(C=C2)NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNS(=O)(=O)C2=CC(=C(C=C2)NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c26-25(27)21-17-19(31(28,29)23-11-12-24-13-15-30-16-14-24)8-9-20(21)22-10-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,22-23H,4,7,10-16H2