N-[3-(imidazol-1-ylmethyl)phenyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [3-(imidazol-1-ylmethyl)phenyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c26-25(27)20-13-18(31(28,29)24-8-10-30-11-9-24)4-5-19(20)22-17-3-1-2-16(12-17)14-23-7-6-21-15-23/h1-7,12-13,15,22H,8-11,14H2