4-(dimethylamino)-3-methoxy-5-(4-oxidanylidenebutyl)-2-[(1-propylindol-3-yl)methyl]-N-sulfonyl-benzamide; methylbenzene

Systemtic Name: 4-(dimethylamino)-3-methoxy-5-(4-oxidanylidenebutyl)-2-[(1-propylindol-3-yl)methyl]-N-sulfonyl-benzamide; methylbenzene Openeye Name: 4-(dimethylamino)-3-methoxy-5-(4-oxobutyl)-2-[(1-propylindol-3-yl)methyl]-N-sulfonyl-benzamide; toluene CAS Name: 4-(dimethylamino)-3-methoxy-5-(4-oxobutyl)-2-[(1-propyl-3-indolyl)methyl]-N-sulfonylbenzamide; toluene IUPAC Name: 4-(dimethylamino)-3-methoxy-5-(4-oxobutyl)-2-[(1-propylindol-3-yl)methyl]-N-sulfonylbenzamide; toluene Traditional Name: 4-(dimethylamino)-5-(4-ketobutyl)-3-methoxy-2-[(1-propylindol-3-yl)methyl]-N-sulfonyl-benzamide; toluene Formula: C33H39N3O5S MolecularWeight: 589.74486

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)CC3=C(C(=C(C=C3C(=O)N=S(=O)=O)CCCC=O)N(C)C)OC.CC1=CC=CC=C1

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)CC3=C(C(=C(C=C3C(=O)N=S(=O)=O)CCCC=O)N(C)C)OC.CC1=CC=CC=C1

InChI

InChI=1S/C26H31N3O5S.C7H8/c1-5-13-29-17-19(20-11-6-7-12-23(20)29)16-21-22(26(31)27-35(32)33)15-18(10-8-9-14-30)24(28(2)3)25(21)34-4;1-7-5-3-2-4-6-7/h6-7,11-12,14-15,17H,5,8-10,13,16H2,1-4H3;2-6H,1H3