[2-nitro-5-(3-oxidanylpropylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [2-nitro-5-(3-oxidanylpropylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone Openeye Name: [5-(3-hydroxypropylsulfonyl)-2-nitro-4-(4-pyridylmethylamino)phenyl]-piperazin-1-yl-methanone CAS Name: [5-(3-hydroxypropylsulfonyl)-2-nitro-4-(pyridin-4-ylmethylamino)phenyl]-(1-piperazinyl)methanone IUPAC Name: [5-(3-hydroxypropylsulfonyl)-2-nitro-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-ylmethanone Traditional Name: [5-(3-hydroxypropylsulfonyl)-2-nitro-4-(4-pyridylmethylamino)phenyl]-piperazino-methanone Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCC3=CC=NC=C3)S(=O)(=O)CCCO

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])NCC3=CC=NC=C3)S(=O)(=O)CCCO

InChI

InChI=1S/C20H25N5O6S/c26-10-1-11-32(30,31)19-12-16(20(27)24-8-6-22-7-9-24)18(25(28)29)13-17(19)23-14-15-2-4-21-5-3-15/h2-5,12-13,22-23,26H,1,6-11,14H2